1-(7-chloro-2-phenylquinolin-4-yl)-2-phenyl-2-pyridin-2-ylethanone

C28H19ClN2O — CID 90680442

IUPAC1-(7-chloro-2-phenylquinolin-4-yl)-2-phenyl-2-pyridin-2-ylethanone
SMILESO=C(c1cc(-c2ccccc2)nc2cc(Cl)ccc12)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C28H19ClN2O/c29-21-14-15-22-23(18-25(31-26(22)17-21)19-9-3-1-4-10-19)28(32)27(20-11-5-2-6-12-20)24-13-7-8-16-30-24/h1-18,27H
InChIKeyUZCJEOAXSYXKJH-UHFFFAOYSA-N
MW434.93 g/mol
LogP6.97
Rot. Bonds5

About 1-(7-chloro-2-phenylquinolin-4-yl)-2-phenyl-2-pyridin-2-ylethanone

1-(7-chloro-2-phenylquinolin-4-yl)-2-phenyl-2-pyridin-2-ylethanone (PubChem CID 90680442) has the molecular formula C28H19ClN2O and a molecular weight of 434.93 g/mol. Its IUPAC name is 1-(7-chloro-2-phenylquinolin-4-yl)-2-phenyl-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(7-chloro-2-phenylquinolin-4-yl)-2-phenyl-2-pyridin-2-ylethanone
PubChem CID90680442
Molecular FormulaC28H19ClN2O
Molecular Weight434.93 g/mol
Exact Mass434.12
IUPAC Name1-(7-chloro-2-phenylquinolin-4-yl)-2-phenyl-2-pyridin-2-ylethanone
SMILESO=C(c1cc(-c2ccccc2)nc2cc(Cl)ccc12)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C28H19ClN2O/c29-21-14-15-22-23(18-25(31-26(22)17-21)19-9-3-1-4-10-19)28(32)27(20-11-5-2-6-12-20)24-13-7-8-16-30-24/h1-18,27H
InChIKeyUZCJEOAXSYXKJH-UHFFFAOYSA-N
XLogP6.97
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.93
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2-phenylquinolin-4-yl)-2-phenyl-2-pyridin-2-ylethanone?
The IUPAC name of 1-(7-chloro-2-phenylquinolin-4-yl)-2-phenyl-2-pyridin-2-ylethanone (CID 90680442) is 1-(7-chloro-2-phenylquinolin-4-yl)-2-phenyl-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(7-chloro-2-phenylquinolin-4-yl)-2-phenyl-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(7-chloro-2-phenylquinolin-4-yl)-2-phenyl-2-pyridin-2-ylethanone is O=C(c1cc(-c2ccccc2)nc2cc(Cl)ccc12)C(c1ccccc1)c1ccccn1.
What is the InChIKey of 1-(7-chloro-2-phenylquinolin-4-yl)-2-phenyl-2-pyridin-2-ylethanone?
The InChIKey is UZCJEOAXSYXKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClN2O/c29-21-14-15-22-23(18-25(31-26(22)17-21)19-9-3-1-4-10-19)28(32)27(20-11-5-2-6-12-20)24-13-7-8-16-30-24/h1-18,27H.
What are the key properties of 1-(7-chloro-2-phenylquinolin-4-yl)-2-phenyl-2-pyridin-2-ylethanone?
1-(7-chloro-2-phenylquinolin-4-yl)-2-phenyl-2-pyridin-2-ylethanone has a molecular weight of 434.93 g/mol, XLogP of 6.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2-phenylquinolin-4-yl)-2-phenyl-2-pyridin-2-ylethanone is sourced from PubChem (CID 90680442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).