5-chloro-2-methoxy-3,4-diphenylazuleno[1,2-c]pyridin-1-one

C26H18ClNO2 — CID 165369289

IUPAC5-chloro-2-methoxy-3,4-diphenylazuleno[1,2-c]pyridin-1-one
SMILESCOn1c(-c2ccccc2)c(-c2ccccc2)c2c(Cl)c3cccccc-3c2c1=O
InChIInChI=1S/C26H18ClNO2/c1-30-28-25(18-13-7-3-8-14-18)21(17-11-5-2-6-12-17)23-22(26(28)29)19-15-9-4-10-16-20(19)24(23)27/h2-16H,1H3
InChIKeyLZQDHPGFZFCAFO-UHFFFAOYSA-N
MW411.89 g/mol
LogP6.15
Rot. Bonds3

About 5-chloro-2-methoxy-3,4-diphenylazuleno[1,2-c]pyridin-1-one

5-chloro-2-methoxy-3,4-diphenylazuleno[1,2-c]pyridin-1-one (PubChem CID 165369289) has the molecular formula C26H18ClNO2 and a molecular weight of 411.89 g/mol. Its IUPAC name is 5-chloro-2-methoxy-3,4-diphenylazuleno[1,2-c]pyridin-1-one.

Molecular Properties

Compound Name5-chloro-2-methoxy-3,4-diphenylazuleno[1,2-c]pyridin-1-one
PubChem CID165369289
Molecular FormulaC26H18ClNO2
Molecular Weight411.89 g/mol
Exact Mass411.10
IUPAC Name5-chloro-2-methoxy-3,4-diphenylazuleno[1,2-c]pyridin-1-one
SMILESCOn1c(-c2ccccc2)c(-c2ccccc2)c2c(Cl)c3cccccc-3c2c1=O
InChIInChI=1S/C26H18ClNO2/c1-30-28-25(18-13-7-3-8-14-18)21(17-11-5-2-6-12-17)23-22(26(28)29)19-15-9-4-10-16-20(19)24(23)27/h2-16H,1H3
InChIKeyLZQDHPGFZFCAFO-UHFFFAOYSA-N
XLogP6.15
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.89
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-bis(3-chlorophenyl)-2-methoxyazuleno[1,2-c]pyridin-1-one
CID 165369283
1,3-dimethyl-5,6-diphenylpyrimidine-2,4-dione
CID 576581
methyl 4-chloro-1,2-dimethyl-5-phenylpyrrole-3-carboxylate
CID 91672505
2-(dimethylamino)-1-methoxy-3-phenyl-6H-pyrido[2,1-a]isoindol-4-one
CID 10640330
4-chloro-1-ethyl-3-phenylquinolin-2-one
CID 139216417
3-(2-chloroacetyl)-1-methoxycyclohepta[b]pyrrol-2-one
CID 15202113
3,5-dichloro-1-(2-methoxyethyl)-6-phenylpyrazin-2-one
CID 45271497
2-benzyl-3,4-diphenyl-9H-pyrido[3,4-b]indol-1-one
CID 15424155
1,5,6-trimethoxy-3-phenylpyrazin-2-one
CID 91439199
(4-oxo-1,3-diphenylquinolizin-2-yl) acetate
CID 110273347
1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene
CID 141041687
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
CID 173189759

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-3,4-diphenylazuleno[1,2-c]pyridin-1-one?
The IUPAC name of 5-chloro-2-methoxy-3,4-diphenylazuleno[1,2-c]pyridin-1-one (CID 165369289) is 5-chloro-2-methoxy-3,4-diphenylazuleno[1,2-c]pyridin-1-one.
What is the SMILES notation for 5-chloro-2-methoxy-3,4-diphenylazuleno[1,2-c]pyridin-1-one?
The canonical SMILES for 5-chloro-2-methoxy-3,4-diphenylazuleno[1,2-c]pyridin-1-one is COn1c(-c2ccccc2)c(-c2ccccc2)c2c(Cl)c3cccccc-3c2c1=O.
What is the InChIKey of 5-chloro-2-methoxy-3,4-diphenylazuleno[1,2-c]pyridin-1-one?
The InChIKey is LZQDHPGFZFCAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClNO2/c1-30-28-25(18-13-7-3-8-14-18)21(17-11-5-2-6-12-17)23-22(26(28)29)19-15-9-4-10-16-20(19)24(23)27/h2-16H,1H3.
What are the key properties of 5-chloro-2-methoxy-3,4-diphenylazuleno[1,2-c]pyridin-1-one?
5-chloro-2-methoxy-3,4-diphenylazuleno[1,2-c]pyridin-1-one has a molecular weight of 411.89 g/mol, XLogP of 6.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-3,4-diphenylazuleno[1,2-c]pyridin-1-one is sourced from PubChem (CID 165369289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).