4-ethylquinazoline;2-ethylquinoxaline;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine

C113H124N18O2S2 — CID 159271179

IUPAC4-ethylquinazoline;2-ethylquinoxaline;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
SMILESCC(C)c1ccc2ccccc2n1.CC(C)c1cccc2cccnc12.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ncccc2[nH]1.CC(C)c1nc2ncccc2o1.CC(C)c1nccc2ccccc12.CCc1cnc2ccccc2n1.CCc1ncnc2ccccc12
InChIInChI=1S/3C12H13N.C10H12N2.2C10H10N2.C10H11NO.C10H11NS.C9H11N3.C9H10N2O.C9H10N2S/c1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-2-9-8-5-3-4-6-10(8)12-7-11-9;1-2-8-7-11-9-5-3-4-6-10(9)12-8;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-6(2)9-11-8-7(12-9)4-3-5-10-8;1-6(2)8-11-7-4-3-5-10-9(7)12-8/h3*3-9H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,2H2,1H3;2*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12);2*3-6H,1-2H3
InChIKeyKXSUTRFLMXCHHC-UHFFFAOYSA-N
MW1830.49 g/mol
LogP30.76
Rot. Bonds11

About 4-ethylquinazoline;2-ethylquinoxaline;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine

4-ethylquinazoline;2-ethylquinoxaline;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 159271179) has the molecular formula C113H124N18O2S2 and a molecular weight of 1830.49 g/mol. Its IUPAC name is 4-ethylquinazoline;2-ethylquinoxaline;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4-ethylquinazoline;2-ethylquinoxaline;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
PubChem CID159271179
Molecular FormulaC113H124N18O2S2
Molecular Weight1830.49 g/mol
Exact Mass1828.96
IUPAC Name4-ethylquinazoline;2-ethylquinoxaline;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
SMILESCC(C)c1ccc2ccccc2n1.CC(C)c1cccc2cccnc12.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ncccc2[nH]1.CC(C)c1nc2ncccc2o1.CC(C)c1nccc2ccccc12.CCc1cnc2ccccc2n1.CCc1ncnc2ccccc12
InChIInChI=1S/3C12H13N.C10H12N2.2C10H10N2.C10H11NO.C10H11NS.C9H11N3.C9H10N2O.C9H10N2S/c1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-2-9-8-5-3-4-6-10(8)12-7-11-9;1-2-8-7-11-9-5-3-4-6-10(9)12-8;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-6(2)9-11-8-7(12-9)4-3-5-10-8;1-6(2)8-11-7-4-3-5-10-9(7)12-8/h3*3-9H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,2H2,1H3;2*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12);2*3-6H,1-2H3
InChIKeyKXSUTRFLMXCHHC-UHFFFAOYSA-N
XLogP30.76
TPSA264.10 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001830.49
LogP ≤ 530.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 4-ethylquinazoline;2-ethylquinoxaline;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-ethylquinazoline;2-ethylquinoxaline;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 4-ethylquinazoline;2-ethylquinoxaline;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine (CID 159271179) is 4-ethylquinazoline;2-ethylquinoxaline;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 4-ethylquinazoline;2-ethylquinoxaline;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 4-ethylquinazoline;2-ethylquinoxaline;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine is CC(C)c1ccc2ccccc2n1.CC(C)c1cccc2cccnc12.CC(C)c1nc2ccccc2[nH]1.CC(C)c1nc2ccccc2o1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ncccc2[nH]1.CC(C)c1nc2ncccc2o1.CC(C)c1nccc2ccccc12.CCc1cnc2ccccc2n1.CCc1ncnc2ccccc12.
What is the InChIKey of 4-ethylquinazoline;2-ethylquinoxaline;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is KXSUTRFLMXCHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H13N.C10H12N2.2C10H10N2.C10H11NO.C10H11NS.C9H11N3.C9H10N2O.C9H10N2S/c1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-2-9-8-5-3-4-6-10(8)12-7-11-9;1-2-8-7-11-9-5-3-4-6-10(9)12-8;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-6(2)9-11-8-7(12-9)4-3-5-10-8;1-6(2)8-11-7-4-3-5-10-9(7)12-8/h3*3-9H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,2H2,1H3;2*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12);2*3-6H,1-2H3.
What are the key properties of 4-ethylquinazoline;2-ethylquinoxaline;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
4-ethylquinazoline;2-ethylquinoxaline;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 1830.49 g/mol, XLogP of 30.76, 11 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylquinazoline;2-ethylquinoxaline;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 159271179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).