5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one

C200H231N25O8 — CID 157144676

IUPAC5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one
SMILESCC(C)c1ccc2[nH]c(=O)cnc2c1.CC(C)c1ccc2[nH]c(=O)ncc2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(=O)[nH]ccc2c1.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CCC(=O)N2.CC(C)c1ccc2c(c1)CCNC2=O.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2nccnc2c1.CC(C)c1ccc2ncncc2c1
InChIInChI=1S/2C12H15NO.C12H13NO.2C12H13N.2C11H12N2O.2C11H12N2.3C11H13NO.3C11H13N.3C10H12N2/c1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;2*1-8(2)9-3-4-11-10(7-9)5-6-13-12(11)14;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-7(2)8-3-4-10-9(5-8)6-12-11(14)13-10;1-7(2)8-3-4-9-10(5-8)12-6-11(14)13-9;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;2*1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-6-11-12-10(9)5-8/h3,5,7-8H,4,6H2,1-2H3,(H,13,14);3-4,7-8H,5-6H2,1-2H3,(H,13,14);3-8H,1-2H3,(H,13,14);2*3-9H,1-2H3;3-7H,1-2H3,(H,12,13,14);3-7H,1-2H3,(H,13,14);2*3-8H,1-2H3;3*3-5,7H,6H2,1-2H3,(H,12,13);3*3-8,12H,1-2H3;3*3-7H,1-2H3,(H,11,12)
InChIKeyAKONSPMXEVSOML-UHFFFAOYSA-N
MW3113.21 g/mol
LogP48.60
Rot. Bonds18

About 5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one

5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one (PubChem CID 157144676) has the molecular formula C200H231N25O8 and a molecular weight of 3113.21 g/mol. Its IUPAC name is 5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one
PubChem CID157144676
Molecular FormulaC200H231N25O8
Molecular Weight3113.21 g/mol
Exact Mass3110.84
IUPAC Name5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one
SMILESCC(C)c1ccc2[nH]c(=O)cnc2c1.CC(C)c1ccc2[nH]c(=O)ncc2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(=O)[nH]ccc2c1.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CCC(=O)N2.CC(C)c1ccc2c(c1)CCNC2=O.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2nccnc2c1.CC(C)c1ccc2ncncc2c1
InChIInChI=1S/2C12H15NO.C12H13NO.2C12H13N.2C11H12N2O.2C11H12N2.3C11H13NO.3C11H13N.3C10H12N2/c1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;2*1-8(2)9-3-4-11-10(7-9)5-6-13-12(11)14;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-7(2)8-3-4-10-9(5-8)6-12-11(14)13-10;1-7(2)8-3-4-9-10(5-8)12-6-11(14)13-9;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;2*1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-6-11-12-10(9)5-8/h3,5,7-8H,4,6H2,1-2H3,(H,13,14);3-4,7-8H,5-6H2,1-2H3,(H,13,14);3-8H,1-2H3,(H,13,14);2*3-9H,1-2H3;3-7H,1-2H3,(H,12,13,14);3-7H,1-2H3,(H,13,14);2*3-8H,1-2H3;3*3-5,7H,6H2,1-2H3,(H,12,13);3*3-8,12H,1-2H3;3*3-7H,1-2H3,(H,11,12)
InChIKeyAKONSPMXEVSOML-UHFFFAOYSA-N
XLogP48.60
TPSA480.61 Ų
H-Bond Donors14
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms233
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003113.21
LogP ≤ 548.60
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1019

Analyze 5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-isoquinolin-4-yl-1H-pyrazolo[5,4-b]pyridin-3-yl)-N-(2-methylphenyl)-3H-benzimidazole-5-carboxamide
CID 136068703
US20240025884, Example 426
CID 170672791
US20240025884, Example 423
CID 170672808
US20240025884, Example 436
CID 170672819
US20240025884, Example 412
CID 170672873
US20240025884, Example 408
CID 170672975
US20240025884, Example 386
CID 170673057
US20240025884, Example 430
CID 170673203
US20240025884, Example 390
CID 170673204
US20240025884, Example 424
CID 170673257
US20240025884, Example 448
CID 170673292
US20240025884, Example 450
CID 170715296

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one?
The IUPAC name of 5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one (CID 157144676) is 5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one.
What is the SMILES notation for 5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one?
The canonical SMILES for 5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one is CC(C)c1ccc2[nH]c(=O)cnc2c1.CC(C)c1ccc2[nH]c(=O)ncc2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(=O)[nH]ccc2c1.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CCC(=O)N2.CC(C)c1ccc2c(c1)CCNC2=O.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2nccnc2c1.CC(C)c1ccc2ncncc2c1.
What is the InChIKey of 5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one?
The InChIKey is AKONSPMXEVSOML-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H15NO.C12H13NO.2C12H13N.2C11H12N2O.2C11H12N2.3C11H13NO.3C11H13N.3C10H12N2/c1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;2*1-8(2)9-3-4-11-10(7-9)5-6-13-12(11)14;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-7(2)8-3-4-10-9(5-8)6-12-11(14)13-10;1-7(2)8-3-4-9-10(5-8)12-6-11(14)13-9;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;2*1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-6-11-12-10(9)5-8/h3,5,7-8H,4,6H2,1-2H3,(H,13,14);3-4,7-8H,5-6H2,1-2H3,(H,13,14);3-8H,1-2H3,(H,13,14);2*3-9H,1-2H3;3-7H,1-2H3,(H,12,13,14);3-7H,1-2H3,(H,13,14);2*3-8H,1-2H3;3*3-5,7H,6H2,1-2H3,(H,12,13);3*3-8,12H,1-2H3;3*3-7H,1-2H3,(H,11,12).
What are the key properties of 5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one?
5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one has a molecular weight of 3113.21 g/mol, XLogP of 48.60, 18 rotatable bonds, 14 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;6-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one is sourced from PubChem (CID 157144676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).