6-chloro-3-[3-(furan-2-yl)prop-2-enoyl]-1-methyl-4-phenylquinolin-2-one

C23H16ClNO3 — CID 3158329

IUPAC6-chloro-3-[3-(furan-2-yl)prop-2-enoyl]-1-methyl-4-phenylquinolin-2-one
SMILESCn1c(=O)c(C(=O)C=Cc2ccco2)c(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C23H16ClNO3/c1-25-19-11-9-16(24)14-18(19)21(15-6-3-2-4-7-15)22(23(25)27)20(26)12-10-17-8-5-13-28-17/h2-14H,1H3
InChIKeyRUSGHNZHIOZCRH-UHFFFAOYSA-N
MW389.84 g/mol
LogP5.35
Rot. Bonds4

About 6-chloro-3-[3-(furan-2-yl)prop-2-enoyl]-1-methyl-4-phenylquinolin-2-one

6-chloro-3-[3-(furan-2-yl)prop-2-enoyl]-1-methyl-4-phenylquinolin-2-one (PubChem CID 3158329) has the molecular formula C23H16ClNO3 and a molecular weight of 389.84 g/mol. Its IUPAC name is 6-chloro-3-[3-(furan-2-yl)prop-2-enoyl]-1-methyl-4-phenylquinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[3-(furan-2-yl)prop-2-enoyl]-1-methyl-4-phenylquinolin-2-one
PubChem CID3158329
Molecular FormulaC23H16ClNO3
Molecular Weight389.84 g/mol
Exact Mass389.08
IUPAC Name6-chloro-3-[3-(furan-2-yl)prop-2-enoyl]-1-methyl-4-phenylquinolin-2-one
SMILESCn1c(=O)c(C(=O)C=Cc2ccco2)c(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C23H16ClNO3/c1-25-19-11-9-16(24)14-18(19)21(15-6-3-2-4-7-15)22(23(25)27)20(26)12-10-17-8-5-13-28-17/h2-14H,1H3
InChIKeyRUSGHNZHIOZCRH-UHFFFAOYSA-N
XLogP5.35
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.84
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-chloro-3-[3-(furan-2-yl)prop-2-enoyl]-1-methyl-4-phenylquinolin-2-one?
The IUPAC name of 6-chloro-3-[3-(furan-2-yl)prop-2-enoyl]-1-methyl-4-phenylquinolin-2-one (CID 3158329) is 6-chloro-3-[3-(furan-2-yl)prop-2-enoyl]-1-methyl-4-phenylquinolin-2-one.
What is the SMILES notation for 6-chloro-3-[3-(furan-2-yl)prop-2-enoyl]-1-methyl-4-phenylquinolin-2-one?
The canonical SMILES for 6-chloro-3-[3-(furan-2-yl)prop-2-enoyl]-1-methyl-4-phenylquinolin-2-one is Cn1c(=O)c(C(=O)C=Cc2ccco2)c(-c2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-3-[3-(furan-2-yl)prop-2-enoyl]-1-methyl-4-phenylquinolin-2-one?
The InChIKey is RUSGHNZHIOZCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNO3/c1-25-19-11-9-16(24)14-18(19)21(15-6-3-2-4-7-15)22(23(25)27)20(26)12-10-17-8-5-13-28-17/h2-14H,1H3.
What are the key properties of 6-chloro-3-[3-(furan-2-yl)prop-2-enoyl]-1-methyl-4-phenylquinolin-2-one?
6-chloro-3-[3-(furan-2-yl)prop-2-enoyl]-1-methyl-4-phenylquinolin-2-one has a molecular weight of 389.84 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-(furan-2-yl)prop-2-enoyl]-1-methyl-4-phenylquinolin-2-one is sourced from PubChem (CID 3158329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).