1-[3-(4-methylphenyl)pent-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxamide

C22H24N2O2 — CID 126807476

IUPAC1-[3-(4-methylphenyl)pent-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESCCC(=CC(=O)N1CCCc2c(C(N)=O)cccc21)c1ccc(C)cc1
InChIInChI=1S/C22H24N2O2/c1-3-16(17-11-9-15(2)10-12-17)14-21(25)24-13-5-7-18-19(22(23)26)6-4-8-20(18)24/h4,6,8-12,14H,3,5,7,13H2,1-2H3,(H2,23,26)
InChIKeyTWWHPCUMDUIGQO-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.87
Rot. Bonds4

About 1-[3-(4-methylphenyl)pent-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxamide

1-[3-(4-methylphenyl)pent-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxamide (PubChem CID 126807476) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)pent-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxamide.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)pent-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxamide
PubChem CID126807476
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-[3-(4-methylphenyl)pent-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESCCC(=CC(=O)N1CCCc2c(C(N)=O)cccc21)c1ccc(C)cc1
InChIInChI=1S/C22H24N2O2/c1-3-16(17-11-9-15(2)10-12-17)14-21(25)24-13-5-7-18-19(22(23)26)6-4-8-20(18)24/h4,6,8-12,14H,3,5,7,13H2,1-2H3,(H2,23,26)
InChIKeyTWWHPCUMDUIGQO-UHFFFAOYSA-N
XLogP3.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxamide
CID 86982066
1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide
CID 86998468
1-[(E)-3-phenylpent-2-enoyl]pyrrolidin-2-one
CID 13001699
1-[2-(2-methylpropylsulfonyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 86998450
1-(5-hydroxypentyl)-3,4-dihydro-2H-quinoline-5-carboxamide
CID 111495995
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 78897275
1-[2-(cyclopropylmethoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 78884754
1-(4-butoxy-3-chloro-5-ethoxybenzoyl)-3,4-dihydro-2H-quinoline-5-carboxamide
CID 78884620
1-(2-fluoro-4-methoxybenzoyl)-3,4-dihydro-2H-quinoline-5-carboxamide
CID 78884609
1-[2-(4-methoxyphenyl)sulfanylpropanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 87025187
1-[(2S,3S)-2-amino-3-methylpentanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61159737
1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 86777202

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)pent-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The IUPAC name of 1-[3-(4-methylphenyl)pent-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxamide (CID 126807476) is 1-[3-(4-methylphenyl)pent-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxamide.
What is the SMILES notation for 1-[3-(4-methylphenyl)pent-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The canonical SMILES for 1-[3-(4-methylphenyl)pent-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxamide is CCC(=CC(=O)N1CCCc2c(C(N)=O)cccc21)c1ccc(C)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)pent-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
The InChIKey is TWWHPCUMDUIGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-16(17-11-9-15(2)10-12-17)14-21(25)24-13-5-7-18-19(22(23)26)6-4-8-20(18)24/h4,6,8-12,14H,3,5,7,13H2,1-2H3,(H2,23,26).
What are the key properties of 1-[3-(4-methylphenyl)pent-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxamide?
1-[3-(4-methylphenyl)pent-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)pent-2-enoyl]-3,4-dihydro-2H-quinoline-5-carboxamide is sourced from PubChem (CID 126807476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).