6-chloro-4-phenyl-3-(1H-pyrrol-2-yl)-1H-quinolin-2-one

C19H13ClN2O — CID 11347784

IUPAC6-chloro-4-phenyl-3-(1H-pyrrol-2-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1-c1ccc[nH]1
InChIInChI=1S/C19H13ClN2O/c20-13-8-9-15-14(11-13)17(12-5-2-1-3-6-12)18(19(23)22-15)16-7-4-10-21-16/h1-11,21H,(H,22,23)
InChIKeyDAOXXVMQYTUSKV-UHFFFAOYSA-N
MW320.78 g/mol
LogP4.84
Rot. Bonds2

About 6-chloro-4-phenyl-3-(1H-pyrrol-2-yl)-1H-quinolin-2-one

6-chloro-4-phenyl-3-(1H-pyrrol-2-yl)-1H-quinolin-2-one (PubChem CID 11347784) has the molecular formula C19H13ClN2O and a molecular weight of 320.78 g/mol. Its IUPAC name is 6-chloro-4-phenyl-3-(1H-pyrrol-2-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-phenyl-3-(1H-pyrrol-2-yl)-1H-quinolin-2-one
PubChem CID11347784
Molecular FormulaC19H13ClN2O
Molecular Weight320.78 g/mol
Exact Mass320.07
IUPAC Name6-chloro-4-phenyl-3-(1H-pyrrol-2-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1-c1ccc[nH]1
InChIInChI=1S/C19H13ClN2O/c20-13-8-9-15-14(11-13)17(12-5-2-1-3-6-12)18(19(23)22-15)16-7-4-10-21-16/h1-11,21H,(H,22,23)
InChIKeyDAOXXVMQYTUSKV-UHFFFAOYSA-N
XLogP4.84
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-3-(1H-pyrrol-2-yl)-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-phenyl-3-(1H-pyrrol-2-yl)-1H-quinolin-2-one (CID 11347784) is 6-chloro-4-phenyl-3-(1H-pyrrol-2-yl)-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-phenyl-3-(1H-pyrrol-2-yl)-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-phenyl-3-(1H-pyrrol-2-yl)-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1-c1ccc[nH]1.
What is the InChIKey of 6-chloro-4-phenyl-3-(1H-pyrrol-2-yl)-1H-quinolin-2-one?
The InChIKey is DAOXXVMQYTUSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O/c20-13-8-9-15-14(11-13)17(12-5-2-1-3-6-12)18(19(23)22-15)16-7-4-10-21-16/h1-11,21H,(H,22,23).
What are the key properties of 6-chloro-4-phenyl-3-(1H-pyrrol-2-yl)-1H-quinolin-2-one?
6-chloro-4-phenyl-3-(1H-pyrrol-2-yl)-1H-quinolin-2-one has a molecular weight of 320.78 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-3-(1H-pyrrol-2-yl)-1H-quinolin-2-one is sourced from PubChem (CID 11347784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).