6-chloro-1,2-dimethyl-3-[(E)-2-phenylethenyl]quinolin-4-one

C19H16ClNO — CID 50917306

IUPAC6-chloro-1,2-dimethyl-3-[(E)-2-phenylethenyl]quinolin-4-one
SMILESCc1c(/C=C/c2ccccc2)c(=O)c2cc(Cl)ccc2n1C
InChIInChI=1S/C19H16ClNO/c1-13-16(10-8-14-6-4-3-5-7-14)19(22)17-12-15(20)9-11-18(17)21(13)2/h3-12H,1-2H3/b10-8+
InChIKeyPJLXOQJMTPWOMC-CSKARUKUSA-N
MW309.80 g/mol
LogP4.67
Rot. Bonds2

About 6-chloro-1,2-dimethyl-3-[(E)-2-phenylethenyl]quinolin-4-one

6-chloro-1,2-dimethyl-3-[(E)-2-phenylethenyl]quinolin-4-one (PubChem CID 50917306) has the molecular formula C19H16ClNO and a molecular weight of 309.80 g/mol. Its IUPAC name is 6-chloro-1,2-dimethyl-3-[(E)-2-phenylethenyl]quinolin-4-one.

Molecular Properties

Compound Name6-chloro-1,2-dimethyl-3-[(E)-2-phenylethenyl]quinolin-4-one
PubChem CID50917306
Molecular FormulaC19H16ClNO
Molecular Weight309.80 g/mol
Exact Mass309.09
IUPAC Name6-chloro-1,2-dimethyl-3-[(E)-2-phenylethenyl]quinolin-4-one
SMILESCc1c(/C=C/c2ccccc2)c(=O)c2cc(Cl)ccc2n1C
InChIInChI=1S/C19H16ClNO/c1-13-16(10-8-14-6-4-3-5-7-14)19(22)17-12-15(20)9-11-18(17)21(13)2/h3-12H,1-2H3/b10-8+
InChIKeyPJLXOQJMTPWOMC-CSKARUKUSA-N
XLogP4.67
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethenyl-1,2,6-trimethylquinolin-4-one
CID 126606942
10-benzyl-2-chloro-7-methylacridin-9-one
CID 139792411
3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 20966750
2-heptyl-1-methyl-3-[(E)-2-phenylethenyl]quinolin-4-one
CID 102053069
2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one
CID 92912504
8-chloro-3-cyclobutyl-5-methyl-2-phenylbenzo[b][1,6]naphthyridine-1,10-dione
CID 118539667
2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-methylquinazolin-4-one
CID 2880240
3-benzyl-2-[2-(1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one
CID 3849018
(3S)-5-[5-chloro-1-methyl-2-[(E)-6-phenylhex-5-enyl]indol-3-yl]-3-methyl-5-oxopentanoic acid
CID 122600327
5-[5-chloro-1-methyl-2-[(E)-6-phenylhex-5-enyl]indol-3-yl]-3-methyl-5-oxopentanoic acid
CID 122588221
3-(7-chloro-1,2-dimethyl-4-oxoquinolin-3-yl)propanoic acid
CID 82248917
(2E)-2-[(5-chloro-1,2-dimethylindol-3-yl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
CID 68999723

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,2-dimethyl-3-[(E)-2-phenylethenyl]quinolin-4-one?
The IUPAC name of 6-chloro-1,2-dimethyl-3-[(E)-2-phenylethenyl]quinolin-4-one (CID 50917306) is 6-chloro-1,2-dimethyl-3-[(E)-2-phenylethenyl]quinolin-4-one.
What is the SMILES notation for 6-chloro-1,2-dimethyl-3-[(E)-2-phenylethenyl]quinolin-4-one?
The canonical SMILES for 6-chloro-1,2-dimethyl-3-[(E)-2-phenylethenyl]quinolin-4-one is Cc1c(/C=C/c2ccccc2)c(=O)c2cc(Cl)ccc2n1C.
What is the InChIKey of 6-chloro-1,2-dimethyl-3-[(E)-2-phenylethenyl]quinolin-4-one?
The InChIKey is PJLXOQJMTPWOMC-CSKARUKUSA-N. The full InChI is InChI=1S/C19H16ClNO/c1-13-16(10-8-14-6-4-3-5-7-14)19(22)17-12-15(20)9-11-18(17)21(13)2/h3-12H,1-2H3/b10-8+.
What are the key properties of 6-chloro-1,2-dimethyl-3-[(E)-2-phenylethenyl]quinolin-4-one?
6-chloro-1,2-dimethyl-3-[(E)-2-phenylethenyl]quinolin-4-one has a molecular weight of 309.80 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,2-dimethyl-3-[(E)-2-phenylethenyl]quinolin-4-one is sourced from PubChem (CID 50917306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).