(7-chloro-1,4-dimethyl-9H-carbazol-3-yl)-(4-methoxyphenyl)methanone

C22H18ClNO2 — CID 71699522

IUPAC(7-chloro-1,4-dimethyl-9H-carbazol-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(C)c3[nH]c4cc(Cl)ccc4c3c2C)cc1
InChIInChI=1S/C22H18ClNO2/c1-12-10-18(22(25)14-4-7-16(26-3)8-5-14)13(2)20-17-9-6-15(23)11-19(17)24-21(12)20/h4-11,24H,1-3H3
InChIKeyQLJDBIYWJSIZNE-UHFFFAOYSA-N
MW363.84 g/mol
LogP5.83
Rot. Bonds3

About (7-chloro-1,4-dimethyl-9H-carbazol-3-yl)-(4-methoxyphenyl)methanone

(7-chloro-1,4-dimethyl-9H-carbazol-3-yl)-(4-methoxyphenyl)methanone (PubChem CID 71699522) has the molecular formula C22H18ClNO2 and a molecular weight of 363.84 g/mol. Its IUPAC name is (7-chloro-1,4-dimethyl-9H-carbazol-3-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(7-chloro-1,4-dimethyl-9H-carbazol-3-yl)-(4-methoxyphenyl)methanone
PubChem CID71699522
Molecular FormulaC22H18ClNO2
Molecular Weight363.84 g/mol
Exact Mass363.10
IUPAC Name(7-chloro-1,4-dimethyl-9H-carbazol-3-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(C)c3[nH]c4cc(Cl)ccc4c3c2C)cc1
InChIInChI=1S/C22H18ClNO2/c1-12-10-18(22(25)14-4-7-16(26-3)8-5-14)13(2)20-17-9-6-15(23)11-19(17)24-21(12)20/h4-11,24H,1-3H3
InChIKeyQLJDBIYWJSIZNE-UHFFFAOYSA-N
XLogP5.83
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.84
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-chloro-1,4-dimethyl-9H-carbazol-3-yl)-phenylmethanone
CID 71699443
N-[6-chloro-2-(4-methoxybenzoyl)-1H-indol-3-yl]acetamide
CID 18367767
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-methoxybenzamide
CID 18367863
[6-(4-methoxybenzoyl)pyren-1-yl]-(4-methoxyphenyl)methanone
CID 23069530
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1H-indole-2-carboxamide
CID 113205294
7-chloro-4-methyl-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 175119806
(6-chloro-2-ethyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 177260397
(4-methoxyphenyl)-pyren-1-ylmethanone
CID 23069494
(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 71699101
(6-methoxy-2-methyl-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430942

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1,4-dimethyl-9H-carbazol-3-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (7-chloro-1,4-dimethyl-9H-carbazol-3-yl)-(4-methoxyphenyl)methanone (CID 71699522) is (7-chloro-1,4-dimethyl-9H-carbazol-3-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (7-chloro-1,4-dimethyl-9H-carbazol-3-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (7-chloro-1,4-dimethyl-9H-carbazol-3-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cc(C)c3[nH]c4cc(Cl)ccc4c3c2C)cc1.
What is the InChIKey of (7-chloro-1,4-dimethyl-9H-carbazol-3-yl)-(4-methoxyphenyl)methanone?
The InChIKey is QLJDBIYWJSIZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO2/c1-12-10-18(22(25)14-4-7-16(26-3)8-5-14)13(2)20-17-9-6-15(23)11-19(17)24-21(12)20/h4-11,24H,1-3H3.
What are the key properties of (7-chloro-1,4-dimethyl-9H-carbazol-3-yl)-(4-methoxyphenyl)methanone?
(7-chloro-1,4-dimethyl-9H-carbazol-3-yl)-(4-methoxyphenyl)methanone has a molecular weight of 363.84 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1,4-dimethyl-9H-carbazol-3-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 71699522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).