6-chloro-4-phenyl-3-pyridin-1-ium-1-yl-1H-quinolin-2-one

C20H14ClN2O+ — CID 752416

IUPAC6-chloro-4-phenyl-3-pyridin-1-ium-1-yl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1-[n+]1ccccc1
InChIInChI=1S/C20H13ClN2O/c21-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20(24)22-17)23-11-5-2-6-12-23/h1-13H/p+1
InChIKeyFYQYEFNBKVNDON-UHFFFAOYSA-O
MW333.80 g/mol
LogP4.13
Rot. Bonds2

About 6-chloro-4-phenyl-3-pyridin-1-ium-1-yl-1H-quinolin-2-one

6-chloro-4-phenyl-3-pyridin-1-ium-1-yl-1H-quinolin-2-one (PubChem CID 752416) has the molecular formula C20H14ClN2O+ and a molecular weight of 333.80 g/mol. Its IUPAC name is 6-chloro-4-phenyl-3-pyridin-1-ium-1-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-phenyl-3-pyridin-1-ium-1-yl-1H-quinolin-2-one
PubChem CID752416
Molecular FormulaC20H14ClN2O+
Molecular Weight333.80 g/mol
Exact Mass333.08
IUPAC Name6-chloro-4-phenyl-3-pyridin-1-ium-1-yl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1-[n+]1ccccc1
InChIInChI=1S/C20H13ClN2O/c21-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20(24)22-17)23-11-5-2-6-12-23/h1-13H/p+1
InChIKeyFYQYEFNBKVNDON-UHFFFAOYSA-O
XLogP4.13
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-3-pyridin-1-ium-1-yl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-phenyl-3-pyridin-1-ium-1-yl-1H-quinolin-2-one (CID 752416) is 6-chloro-4-phenyl-3-pyridin-1-ium-1-yl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-phenyl-3-pyridin-1-ium-1-yl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-phenyl-3-pyridin-1-ium-1-yl-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1-[n+]1ccccc1.
What is the InChIKey of 6-chloro-4-phenyl-3-pyridin-1-ium-1-yl-1H-quinolin-2-one?
The InChIKey is FYQYEFNBKVNDON-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H13ClN2O/c21-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20(24)22-17)23-11-5-2-6-12-23/h1-13H/p+1.
What are the key properties of 6-chloro-4-phenyl-3-pyridin-1-ium-1-yl-1H-quinolin-2-one?
6-chloro-4-phenyl-3-pyridin-1-ium-1-yl-1H-quinolin-2-one has a molecular weight of 333.80 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-3-pyridin-1-ium-1-yl-1H-quinolin-2-one is sourced from PubChem (CID 752416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).