(Z)-1-(7-chloro-2-oxo-1H-quinolin-3-yl)-5-(4-methoxyphenyl)pent-4-ene-1,3-dione

C21H16ClNO4 — CID 67007967

IUPAC(Z)-1-(7-chloro-2-oxo-1H-quinolin-3-yl)-5-(4-methoxyphenyl)pent-4-ene-1,3-dione
SMILESCOc1ccc(/C=C\C(=O)CC(=O)c2cc3ccc(Cl)cc3[nH]c2=O)cc1
InChIInChI=1S/C21H16ClNO4/c1-27-17-8-3-13(4-9-17)2-7-16(24)12-20(25)18-10-14-5-6-15(22)11-19(14)23-21(18)26/h2-11H,12H2,1H3,(H,23,26)/b7-2-
InChIKeyLRXLKAUNWQZUAG-UQCOIBPSSA-N
MW381.82 g/mol
LogP4.05
Rot. Bonds6

About (Z)-1-(7-chloro-2-oxo-1H-quinolin-3-yl)-5-(4-methoxyphenyl)pent-4-ene-1,3-dione

(Z)-1-(7-chloro-2-oxo-1H-quinolin-3-yl)-5-(4-methoxyphenyl)pent-4-ene-1,3-dione (PubChem CID 67007967) has the molecular formula C21H16ClNO4 and a molecular weight of 381.82 g/mol. Its IUPAC name is (Z)-1-(7-chloro-2-oxo-1H-quinolin-3-yl)-5-(4-methoxyphenyl)pent-4-ene-1,3-dione.

Molecular Properties

Compound Name(Z)-1-(7-chloro-2-oxo-1H-quinolin-3-yl)-5-(4-methoxyphenyl)pent-4-ene-1,3-dione
PubChem CID67007967
Molecular FormulaC21H16ClNO4
Molecular Weight381.82 g/mol
Exact Mass381.08
IUPAC Name(Z)-1-(7-chloro-2-oxo-1H-quinolin-3-yl)-5-(4-methoxyphenyl)pent-4-ene-1,3-dione
SMILESCOc1ccc(/C=C\C(=O)CC(=O)c2cc3ccc(Cl)cc3[nH]c2=O)cc1
InChIInChI=1S/C21H16ClNO4/c1-27-17-8-3-13(4-9-17)2-7-16(24)12-20(25)18-10-14-5-6-15(22)11-19(14)23-21(18)26/h2-11H,12H2,1H3,(H,23,26)/b7-2-
InChIKeyLRXLKAUNWQZUAG-UQCOIBPSSA-N
XLogP4.05
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-1-(7-chloro-2-oxo-1H-quinolin-3-yl)-5-(4-methoxyphenyl)pent-4-ene-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]-1H-quinolin-2-one
CID 67007557
(E)-5-(3-amino-4-chlorophenyl)-1-(7-chloro-2-oxo-1H-quinolin-3-yl)pent-4-ene-1,3-dione
CID 67008419
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
(E)-1-(6-chloro-2-oxothiochromen-3-yl)-5-(4-methoxyphenyl)pent-4-ene-1,3-dione
CID 12000760
3-(2-bromoacetyl)-7-methoxy-1H-quinolin-2-one
CID 22638606
(E)-1-(7-iodo-2-oxothiochromen-3-yl)-5-(4-methoxyphenyl)pent-4-ene-1,3-dione
CID 67007884
1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 78574899
6-chloro-3-[3-(4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 3123581
(Z)-1-(5-methoxy-2-oxothiochromen-3-yl)-5-(4-methoxyphenyl)pent-4-ene-1,3-dione
CID 67008250
2-(4-chlorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324770
7-chloro-3-[4-(4-chloro-3-nitrophenyl)-2-oxobut-3-enyl]sulfonyl-1H-quinolin-2-one
CID 66811227

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(7-chloro-2-oxo-1H-quinolin-3-yl)-5-(4-methoxyphenyl)pent-4-ene-1,3-dione?
The IUPAC name of (Z)-1-(7-chloro-2-oxo-1H-quinolin-3-yl)-5-(4-methoxyphenyl)pent-4-ene-1,3-dione (CID 67007967) is (Z)-1-(7-chloro-2-oxo-1H-quinolin-3-yl)-5-(4-methoxyphenyl)pent-4-ene-1,3-dione.
What is the SMILES notation for (Z)-1-(7-chloro-2-oxo-1H-quinolin-3-yl)-5-(4-methoxyphenyl)pent-4-ene-1,3-dione?
The canonical SMILES for (Z)-1-(7-chloro-2-oxo-1H-quinolin-3-yl)-5-(4-methoxyphenyl)pent-4-ene-1,3-dione is COc1ccc(/C=C\C(=O)CC(=O)c2cc3ccc(Cl)cc3[nH]c2=O)cc1.
What is the InChIKey of (Z)-1-(7-chloro-2-oxo-1H-quinolin-3-yl)-5-(4-methoxyphenyl)pent-4-ene-1,3-dione?
The InChIKey is LRXLKAUNWQZUAG-UQCOIBPSSA-N. The full InChI is InChI=1S/C21H16ClNO4/c1-27-17-8-3-13(4-9-17)2-7-16(24)12-20(25)18-10-14-5-6-15(22)11-19(14)23-21(18)26/h2-11H,12H2,1H3,(H,23,26)/b7-2-.
What are the key properties of (Z)-1-(7-chloro-2-oxo-1H-quinolin-3-yl)-5-(4-methoxyphenyl)pent-4-ene-1,3-dione?
(Z)-1-(7-chloro-2-oxo-1H-quinolin-3-yl)-5-(4-methoxyphenyl)pent-4-ene-1,3-dione has a molecular weight of 381.82 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(7-chloro-2-oxo-1H-quinolin-3-yl)-5-(4-methoxyphenyl)pent-4-ene-1,3-dione is sourced from PubChem (CID 67007967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).