7-chloro-2-phenyl-3-quinolin-2-ylchromen-4-one

C24H14ClNO2 — CID 164519672

IUPAC7-chloro-2-phenyl-3-quinolin-2-ylchromen-4-one
SMILESO=c1c(-c2ccc3ccccc3n2)c(-c2ccccc2)oc2cc(Cl)ccc12
InChIInChI=1S/C24H14ClNO2/c25-17-11-12-18-21(14-17)28-24(16-7-2-1-3-8-16)22(23(18)27)20-13-10-15-6-4-5-9-19(15)26-20/h1-14H
InChIKeyPKQTZPQTHXLDEU-UHFFFAOYSA-N
MW383.83 g/mol
LogP6.33
Rot. Bonds2

About 7-chloro-2-phenyl-3-quinolin-2-ylchromen-4-one

7-chloro-2-phenyl-3-quinolin-2-ylchromen-4-one (PubChem CID 164519672) has the molecular formula C24H14ClNO2 and a molecular weight of 383.83 g/mol. Its IUPAC name is 7-chloro-2-phenyl-3-quinolin-2-ylchromen-4-one.

Molecular Properties

Compound Name7-chloro-2-phenyl-3-quinolin-2-ylchromen-4-one
PubChem CID164519672
Molecular FormulaC24H14ClNO2
Molecular Weight383.83 g/mol
Exact Mass383.07
IUPAC Name7-chloro-2-phenyl-3-quinolin-2-ylchromen-4-one
SMILESO=c1c(-c2ccc3ccccc3n2)c(-c2ccccc2)oc2cc(Cl)ccc12
InChIInChI=1S/C24H14ClNO2/c25-17-11-12-18-21(14-17)28-24(16-7-2-1-3-8-16)22(23(18)27)20-13-10-15-6-4-5-9-19(15)26-20/h1-14H
InChIKeyPKQTZPQTHXLDEU-UHFFFAOYSA-N
XLogP6.33
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.83
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-methylquinolin-2-yl)-2-phenylchromen-4-one
CID 164519667
7-methoxy-2-methyl-3-quinolin-2-ylchromen-4-one
CID 2327583
3-isoquinolin-3-yl-2-phenylchromen-4-one
CID 175381344
7-ethoxy-2-methyl-3-quinolin-2-ylchromen-4-one
CID 23854701
iridium;tris(2-phenylquinoline)
CID 122129463
6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one
CID 7746601
dichloroplatinum;2-phenylquinoline
CID 175341425
2-(5-quinolin-2-yl-1H-pyrrol-2-yl)quinoline
CID 18470716
3-benzylidene-6-chloro-1,2-dihydrocyclopenta[b]chromen-9-one
CID 54496726
2-chloro-3-(4-chlorophenyl)-7-hydroxychromen-4-one
CID 175439697
2-(7-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 170668166
2-[3-(2-phenylphenyl)phenyl]quinoline
CID 68954156

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-phenyl-3-quinolin-2-ylchromen-4-one?
The IUPAC name of 7-chloro-2-phenyl-3-quinolin-2-ylchromen-4-one (CID 164519672) is 7-chloro-2-phenyl-3-quinolin-2-ylchromen-4-one.
What is the SMILES notation for 7-chloro-2-phenyl-3-quinolin-2-ylchromen-4-one?
The canonical SMILES for 7-chloro-2-phenyl-3-quinolin-2-ylchromen-4-one is O=c1c(-c2ccc3ccccc3n2)c(-c2ccccc2)oc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-2-phenyl-3-quinolin-2-ylchromen-4-one?
The InChIKey is PKQTZPQTHXLDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClNO2/c25-17-11-12-18-21(14-17)28-24(16-7-2-1-3-8-16)22(23(18)27)20-13-10-15-6-4-5-9-19(15)26-20/h1-14H.
What are the key properties of 7-chloro-2-phenyl-3-quinolin-2-ylchromen-4-one?
7-chloro-2-phenyl-3-quinolin-2-ylchromen-4-one has a molecular weight of 383.83 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-phenyl-3-quinolin-2-ylchromen-4-one is sourced from PubChem (CID 164519672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).