(Z)-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide

C22H22N2O2 — CID 16814021

IUPAC(Z)-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide
SMILESCc1ccc(C)c2[nH]c(=O)c(CCNC(=O)/C=C\c3ccccc3)cc12
InChIInChI=1S/C22H22N2O2/c1-15-8-9-16(2)21-19(15)14-18(22(26)24-21)12-13-23-20(25)11-10-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,23,25)(H,24,26)/b11-10-
InChIKeyLQXPTFPAPFLMFZ-KHPPLWFESA-N
MW346.43 g/mol
LogP3.52
Rot. Bonds5

About (Z)-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide

(Z)-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 16814021) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is (Z)-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID16814021
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name(Z)-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide
SMILESCc1ccc(C)c2[nH]c(=O)c(CCNC(=O)/C=C\c3ccccc3)cc12
InChIInChI=1S/C22H22N2O2/c1-15-8-9-16(2)21-19(15)14-18(22(26)24-21)12-13-23-20(25)11-10-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,23,25)(H,24,26)/b11-10-
InChIKeyLQXPTFPAPFLMFZ-KHPPLWFESA-N
XLogP3.52
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide 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

N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
CID 5121477
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide
CID 5017374
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethylbenzamide
CID 3460766
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 4191562
(Z)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 16814041
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
CID 110602465
1-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)thiourea
CID 7136945
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-ethoxynaphthalene-1-carboxamide
CID 7080101
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzamide
CID 4257940
3-(hydroxymethyl)-5,8-dimethyl-1H-quinolin-2-one
CID 865117
(E)-N-[2-(2,3-dimethoxyphenyl)ethyl]-3-phenylprop-2-enamide
CID 155112281

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide (CID 16814021) is (Z)-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide is Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)/C=C\c3ccccc3)cc12.
What is the InChIKey of (Z)-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is LQXPTFPAPFLMFZ-KHPPLWFESA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15-8-9-16(2)21-19(15)14-18(22(26)24-21)12-13-23-20(25)11-10-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,23,25)(H,24,26)/b11-10-.
What are the key properties of (Z)-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide?
(Z)-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 346.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 16814021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).