(4-chloro-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]quinolin-1-yl)-(5-methoxy-1H-indol-2-yl)methanone

C21H18ClN3O2 — CID 10110284

IUPAC(4-chloro-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]quinolin-1-yl)-(5-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)c3c[nH]c4c(Cl)cc5c(c34)CCCN5)cc2c1
InChIInChI=1S/C21H18ClN3O2/c1-27-12-4-5-16-11(7-12)8-18(25-16)21(26)14-10-24-20-15(22)9-17-13(19(14)20)3-2-6-23-17/h4-5,7-10,23-25H,2-3,6H2,1H3
InChIKeyJHDNWTRZAJNVIU-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.90
Rot. Bonds3

About (4-chloro-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]quinolin-1-yl)-(5-methoxy-1H-indol-2-yl)methanone

(4-chloro-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]quinolin-1-yl)-(5-methoxy-1H-indol-2-yl)methanone (PubChem CID 10110284) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is (4-chloro-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]quinolin-1-yl)-(5-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(4-chloro-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]quinolin-1-yl)-(5-methoxy-1H-indol-2-yl)methanone
PubChem CID10110284
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name(4-chloro-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]quinolin-1-yl)-(5-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)c3c[nH]c4c(Cl)cc5c(c34)CCCN5)cc2c1
InChIInChI=1S/C21H18ClN3O2/c1-27-12-4-5-16-11(7-12)8-18(25-16)21(26)14-10-24-20-15(22)9-17-13(19(14)20)3-2-6-23-17/h4-5,7-10,23-25H,2-3,6H2,1H3
InChIKeyJHDNWTRZAJNVIU-UHFFFAOYSA-N
XLogP4.90
TPSA69.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (4-chloro-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]quinolin-1-yl)-(5-methoxy-1H-indol-2-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone
CID 10403180
(6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone
CID 11688408
cyclobutyl-(5-methoxy-1H-indol-2-yl)methanone
CID 10955347
5-chloro-7-methoxy-1,2,3,4-tetrahydroquinoline
CID 84667985
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 23003326
(2-methoxyphenyl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 10970353
(5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone
CID 139083916
(3,4-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013211
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-methoxy-1H-indole-2-carboxamide
CID 41145274
5-methoxy-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2742916

Frequently Asked Questions

What is the IUPAC name of (4-chloro-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]quinolin-1-yl)-(5-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of (4-chloro-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]quinolin-1-yl)-(5-methoxy-1H-indol-2-yl)methanone (CID 10110284) is (4-chloro-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]quinolin-1-yl)-(5-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for (4-chloro-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]quinolin-1-yl)-(5-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for (4-chloro-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]quinolin-1-yl)-(5-methoxy-1H-indol-2-yl)methanone is COc1ccc2[nH]c(C(=O)c3c[nH]c4c(Cl)cc5c(c34)CCCN5)cc2c1.
What is the InChIKey of (4-chloro-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]quinolin-1-yl)-(5-methoxy-1H-indol-2-yl)methanone?
The InChIKey is JHDNWTRZAJNVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-27-12-4-5-16-11(7-12)8-18(25-16)21(26)14-10-24-20-15(22)9-17-13(19(14)20)3-2-6-23-17/h4-5,7-10,23-25H,2-3,6H2,1H3.
What are the key properties of (4-chloro-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]quinolin-1-yl)-(5-methoxy-1H-indol-2-yl)methanone?
(4-chloro-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]quinolin-1-yl)-(5-methoxy-1H-indol-2-yl)methanone has a molecular weight of 379.85 g/mol, XLogP of 4.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]quinolin-1-yl)-(5-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 10110284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).