6-chloro-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one

C22H14ClNO3 — CID 5343342

IUPAC6-chloro-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
SMILESO=C(/C=C/c1ccco1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C22H14ClNO3/c23-15-8-10-18-17(13-15)20(14-5-2-1-3-6-14)21(22(26)24-18)19(25)11-9-16-7-4-12-27-16/h1-13H,(H,24,26)/b11-9+
InChIKeyUABRKOPHVNHEJG-PKNBQFBNSA-N
MW375.81 g/mol
LogP5.34
Rot. Bonds4

About 6-chloro-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one

6-chloro-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one (PubChem CID 5343342) has the molecular formula C22H14ClNO3 and a molecular weight of 375.81 g/mol. Its IUPAC name is 6-chloro-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
PubChem CID5343342
Molecular FormulaC22H14ClNO3
Molecular Weight375.81 g/mol
Exact Mass375.07
IUPAC Name6-chloro-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
SMILESO=C(/C=C/c1ccco1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C22H14ClNO3/c23-15-8-10-18-17(13-15)20(14-5-2-1-3-6-14)21(22(26)24-18)19(25)11-9-16-7-4-12-27-16/h1-13H,(H,24,26)/b11-9+
InChIKeyUABRKOPHVNHEJG-PKNBQFBNSA-N
XLogP5.34
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.81
LogP ≤ 55.34
H-Bond Donors ≤ 51
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 6-chloro-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one (CID 5343342) is 6-chloro-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one is O=C(/C=C/c1ccco1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 6-chloro-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one?
The InChIKey is UABRKOPHVNHEJG-PKNBQFBNSA-N. The full InChI is InChI=1S/C22H14ClNO3/c23-15-8-10-18-17(13-15)20(14-5-2-1-3-6-14)21(22(26)24-18)19(25)11-9-16-7-4-12-27-16/h1-13H,(H,24,26)/b11-9+.
What are the key properties of 6-chloro-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one?
6-chloro-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one has a molecular weight of 375.81 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 5343342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).