2-(2-chlorophenyl)-5-methyl-3H-pyrrolo[2,3-c]quinolin-4-one

C18H13ClN2O — CID 72546975

IUPAC2-(2-chlorophenyl)-5-methyl-3H-pyrrolo[2,3-c]quinolin-4-one
SMILESCn1c(=O)c2[nH]c(-c3ccccc3Cl)cc2c2ccccc21
InChIInChI=1S/C18H13ClN2O/c1-21-16-9-5-3-6-11(16)13-10-15(20-17(13)18(21)22)12-7-2-4-8-14(12)19/h2-10,20H,1H3
InChIKeySMPBREXCMRRIAW-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.34
Rot. Bonds1

About 2-(2-chlorophenyl)-5-methyl-3H-pyrrolo[2,3-c]quinolin-4-one

2-(2-chlorophenyl)-5-methyl-3H-pyrrolo[2,3-c]quinolin-4-one (PubChem CID 72546975) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-methyl-3H-pyrrolo[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-methyl-3H-pyrrolo[2,3-c]quinolin-4-one
PubChem CID72546975
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC Name2-(2-chlorophenyl)-5-methyl-3H-pyrrolo[2,3-c]quinolin-4-one
SMILESCn1c(=O)c2[nH]c(-c3ccccc3Cl)cc2c2ccccc21
InChIInChI=1S/C18H13ClN2O/c1-21-16-9-5-3-6-11(16)13-10-15(20-17(13)18(21)22)12-7-2-4-8-14(12)19/h2-10,20H,1H3
InChIKeySMPBREXCMRRIAW-UHFFFAOYSA-N
XLogP4.34
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-7H-indolo[2,3-c]quinolin-6-one
CID 21445425
2,9-bis(2-chlorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 138622627
2-(2-chlorophenyl)-6,7-dimethyl-1H-indole
CID 131886906
3-chloro-1,4-dimethylquinolin-2-one
CID 15643026
2-(2-chlorophenyl)-1-methylindole-3-carboxylic acid
CID 19005908
4-(2-chlorophenyl)-9-methyl-2-oxo-1H-pyrido[2,3-b]indole-3-carbonitrile
CID 102495647
2-chloro-1-methylquinolin-4-one
CID 159375859
4-(2-chlorophenyl)-3H-1,3-oxazine-2,6-dione
CID 586793
5-methyl-1,2-dihydropyrazolo[4,3-c]quinoline-3,4-dione
CID 10242373
ethane;bis(9-methylcarbazole)
CID 159710949
8-methyl-8-azapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaen-21-one
CID 167125984
4-bromo-2-(2-chlorophenyl)-1H-indole
CID 59689098

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-methyl-3H-pyrrolo[2,3-c]quinolin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-5-methyl-3H-pyrrolo[2,3-c]quinolin-4-one (CID 72546975) is 2-(2-chlorophenyl)-5-methyl-3H-pyrrolo[2,3-c]quinolin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-5-methyl-3H-pyrrolo[2,3-c]quinolin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-5-methyl-3H-pyrrolo[2,3-c]quinolin-4-one is Cn1c(=O)c2[nH]c(-c3ccccc3Cl)cc2c2ccccc21.
What is the InChIKey of 2-(2-chlorophenyl)-5-methyl-3H-pyrrolo[2,3-c]quinolin-4-one?
The InChIKey is SMPBREXCMRRIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O/c1-21-16-9-5-3-6-11(16)13-10-15(20-17(13)18(21)22)12-7-2-4-8-14(12)19/h2-10,20H,1H3.
What are the key properties of 2-(2-chlorophenyl)-5-methyl-3H-pyrrolo[2,3-c]quinolin-4-one?
2-(2-chlorophenyl)-5-methyl-3H-pyrrolo[2,3-c]quinolin-4-one has a molecular weight of 308.77 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-methyl-3H-pyrrolo[2,3-c]quinolin-4-one is sourced from PubChem (CID 72546975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).