7-chloro-3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]-1H-quinolin-2-one

C19H14ClNO3 — CID 67007557

IUPAC7-chloro-3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]-1H-quinolin-2-one
SMILESCOc1ccc(/C=C\C(=O)c2cc3ccc(Cl)cc3[nH]c2=O)cc1
InChIInChI=1S/C19H14ClNO3/c1-24-15-7-2-12(3-8-15)4-9-18(22)16-10-13-5-6-14(20)11-17(13)21-19(16)23/h2-11H,1H3,(H,21,23)/b9-4-
InChIKeyAWLCUWKMBQCLRC-WTKPLQERSA-N
MW339.78 g/mol
LogP4.09
Rot. Bonds4

About 7-chloro-3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]-1H-quinolin-2-one

7-chloro-3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]-1H-quinolin-2-one (PubChem CID 67007557) has the molecular formula C19H14ClNO3 and a molecular weight of 339.78 g/mol. Its IUPAC name is 7-chloro-3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]-1H-quinolin-2-one
PubChem CID67007557
Molecular FormulaC19H14ClNO3
Molecular Weight339.78 g/mol
Exact Mass339.07
IUPAC Name7-chloro-3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]-1H-quinolin-2-one
SMILESCOc1ccc(/C=C\C(=O)c2cc3ccc(Cl)cc3[nH]c2=O)cc1
InChIInChI=1S/C19H14ClNO3/c1-24-15-7-2-12(3-8-15)4-9-18(22)16-10-13-5-6-14(20)11-17(13)21-19(16)23/h2-11H,1H3,(H,21,23)/b9-4-
InChIKeyAWLCUWKMBQCLRC-WTKPLQERSA-N
XLogP4.09
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.09
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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Related Compounds

(Z)-1-(7-chloro-2-oxo-1H-quinolin-3-yl)-5-(4-methoxyphenyl)pent-4-ene-1,3-dione
CID 67007967
1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 78574899
7-chloro-3-[(E)-4-(4-methoxyphenyl)-2-oxobut-3-enyl]sulfonyl-1H-quinolin-2-one
CID 66811306
7-chloro-3-[2-(4-methoxyphenyl)acetyl]-1H-quinolin-2-one
CID 12002170
3-[3-(4-chlorophenyl)prop-2-enoyl]-7-methoxythiochromen-2-one
CID 67007831
6-chloro-3-[3-(4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 3123581
(6-chloro-1H-indol-2-yl)-(5-methoxy-1H-indol-2-yl)methanone
CID 11688408
(E)-5-(3-amino-4-chlorophenyl)-1-(7-chloro-2-oxo-1H-quinolin-3-yl)pent-4-ene-1,3-dione
CID 67008419
3-(4-methoxyphenyl)-1-(2,4,5-trimethylphenyl)prop-2-en-1-one
CID 3441199
(E)-1-(2-chloro-4-methoxyphenyl)-3-phenylprop-2-en-1-one
CID 82638845
4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(4-methoxyphenyl)-2H-oxadiazol-3-ium-5-one
CID 52912348
3-(2-bromoacetyl)-7-methoxy-1H-quinolin-2-one
CID 22638606

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]-1H-quinolin-2-one?
The IUPAC name of 7-chloro-3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]-1H-quinolin-2-one (CID 67007557) is 7-chloro-3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]-1H-quinolin-2-one is COc1ccc(/C=C\C(=O)c2cc3ccc(Cl)cc3[nH]c2=O)cc1.
What is the InChIKey of 7-chloro-3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]-1H-quinolin-2-one?
The InChIKey is AWLCUWKMBQCLRC-WTKPLQERSA-N. The full InChI is InChI=1S/C19H14ClNO3/c1-24-15-7-2-12(3-8-15)4-9-18(22)16-10-13-5-6-14(20)11-17(13)21-19(16)23/h2-11H,1H3,(H,21,23)/b9-4-.
What are the key properties of 7-chloro-3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]-1H-quinolin-2-one?
7-chloro-3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]-1H-quinolin-2-one has a molecular weight of 339.78 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]-1H-quinolin-2-one is sourced from PubChem (CID 67007557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).