(E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(furan-2-yl)prop-2-en-1-one

C23H16ClNO2 — CID 16590137

IUPAC(E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(furan-2-yl)prop-2-en-1-one
SMILESCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccco1
InChIInChI=1S/C23H16ClNO2/c1-15-22(21(26)12-10-18-8-5-13-27-18)23(16-6-3-2-4-7-16)19-14-17(24)9-11-20(19)25-15/h2-14H,1H3/b12-10+
InChIKeyAQVWWMAXRXNGIO-ZRDIBKRKSA-N
MW373.84 g/mol
LogP6.35
Rot. Bonds4

About (E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(furan-2-yl)prop-2-en-1-one

(E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(furan-2-yl)prop-2-en-1-one (PubChem CID 16590137) has the molecular formula C23H16ClNO2 and a molecular weight of 373.84 g/mol. Its IUPAC name is (E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(furan-2-yl)prop-2-en-1-one
PubChem CID16590137
Molecular FormulaC23H16ClNO2
Molecular Weight373.84 g/mol
Exact Mass373.09
IUPAC Name(E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(furan-2-yl)prop-2-en-1-one
SMILESCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccco1
InChIInChI=1S/C23H16ClNO2/c1-15-22(21(26)12-10-18-8-5-13-27-18)23(16-6-3-2-4-7-16)19-14-17(24)9-11-20(19)25-15/h2-14H,1H3/b12-10+
InChIKeyAQVWWMAXRXNGIO-ZRDIBKRKSA-N
XLogP6.35
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(furan-2-yl)prop-2-en-1-one (CID 16590137) is (E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(furan-2-yl)prop-2-en-1-one is Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(furan-2-yl)prop-2-en-1-one?
The InChIKey is AQVWWMAXRXNGIO-ZRDIBKRKSA-N. The full InChI is InChI=1S/C23H16ClNO2/c1-15-22(21(26)12-10-18-8-5-13-27-18)23(16-6-3-2-4-7-16)19-14-17(24)9-11-20(19)25-15/h2-14H,1H3/b12-10+.
What are the key properties of (E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(furan-2-yl)prop-2-en-1-one?
(E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(furan-2-yl)prop-2-en-1-one has a molecular weight of 373.84 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 16590137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).