2-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylquinoline

C57H65N3O — CID 158052021

IUPAC2-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylquinoline
SMILESCC(C)C1=Cc2ccccc2C1.CC(C)c1c[nH]c2ccccc12.CC(C)c1cc2ccccc2o1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccnc2ccccc12
InChIInChI=1S/C12H13N.C12H14.2C11H13N.C11H12O/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11/h3-9H,1-2H3;3-7,9H,8H2,1-2H3;2*3-8,12H,1-2H3;3-8H,1-2H3
InChIKeyFJPDQHIGZOYILJ-UHFFFAOYSA-N
MW808.17 g/mol
LogP16.78
Rot. Bonds5

About 2-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylquinoline

2-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylquinoline (PubChem CID 158052021) has the molecular formula C57H65N3O and a molecular weight of 808.17 g/mol. Its IUPAC name is 2-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylquinoline.

Molecular Properties

Compound Name2-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylquinoline
PubChem CID158052021
Molecular FormulaC57H65N3O
Molecular Weight808.17 g/mol
Exact Mass807.51
IUPAC Name2-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylquinoline
SMILESCC(C)C1=Cc2ccccc2C1.CC(C)c1c[nH]c2ccccc12.CC(C)c1cc2ccccc2o1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccnc2ccccc12
InChIInChI=1S/C12H13N.C12H14.2C11H13N.C11H12O/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11/h3-9H,1-2H3;3-7,9H,8H2,1-2H3;2*3-8,12H,1-2H3;3-8H,1-2H3
InChIKeyFJPDQHIGZOYILJ-UHFFFAOYSA-N
XLogP16.78
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.17
LogP ≤ 516.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylquinoline 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

(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-[(5-methylfuran-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 23647568
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-[(4,5-dimethylfuran-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 23647569
2-(1H-indol-5-yl)xanthone
CID 24747921
3-(1H-indol-5-yl)xanthone
CID 24747942
2-(1H-indol-6-yl)xanthen-9-one
CID 25058292
2-(1H-indol-3-yl)-N-[(5-naphthalen-1-ylfuran-2-yl)methyl]ethanamine
CID 155539573
(3S)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one
CID 126715488
Quinoline-6-carboxylic acid trans-(4-{2-[4-(2,3-dihydro-benzofuran-4-yl)-piperidin-1-yl]-ethyl}-cyclohexyl)-amide
CID 57386456
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]quinoline-6-carboxamide
CID 70675529
(E)-1-(1H-indol-3-yl)-3-[3-(4-methoxyphenyl)quinolin-2-yl]prop-2-en-1-one
CID 71571095
[5-[bis(5-methoxy-1H-indol-3-yl)methyl]-7-methyl-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 72707401
[5-[bis(5-methoxy-1H-indol-3-yl)methyl]-7-tert-butyl-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 72707403

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylquinoline?
The IUPAC name of 2-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylquinoline (CID 158052021) is 2-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylquinoline.
What is the SMILES notation for 2-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylquinoline?
The canonical SMILES for 2-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylquinoline is CC(C)C1=Cc2ccccc2C1.CC(C)c1c[nH]c2ccccc12.CC(C)c1cc2ccccc2o1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccnc2ccccc12.
What is the InChIKey of 2-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylquinoline?
The InChIKey is FJPDQHIGZOYILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C12H14.2C11H13N.C11H12O/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)11-7-9-5-3-4-6-10(9)12-11/h3-9H,1-2H3;3-7,9H,8H2,1-2H3;2*3-8,12H,1-2H3;3-8H,1-2H3.
What are the key properties of 2-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylquinoline?
2-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylquinoline has a molecular weight of 808.17 g/mol, XLogP of 16.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-benzofuran;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylquinoline is sourced from PubChem (CID 158052021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).