2,6-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]quinoline-4-carboxamide

C22H21N3O2 — CID 134008567

IUPAC2,6-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]quinoline-4-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1cc(C)nc2ccc(C)cc12
InChIInChI=1S/C22H21N3O2/c1-4-11-23-21(26)16-7-5-6-8-19(16)25-22(27)18-13-15(3)24-20-10-9-14(2)12-17(18)20/h4-10,12-13H,1,11H2,2-3H3,(H,23,26)(H,25,27)
InChIKeyBBEGKHUYGUTJHB-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.02
Rot. Bonds5

About 2,6-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]quinoline-4-carboxamide

2,6-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]quinoline-4-carboxamide (PubChem CID 134008567) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2,6-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]quinoline-4-carboxamide
PubChem CID134008567
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2,6-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]quinoline-4-carboxamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1cc(C)nc2ccc(C)cc12
InChIInChI=1S/C22H21N3O2/c1-4-11-23-21(26)16-7-5-6-8-19(16)25-22(27)18-13-15(3)24-20-10-9-14(2)12-17(18)20/h4-10,12-13H,1,11H2,2-3H3,(H,23,26)(H,25,27)
InChIKeyBBEGKHUYGUTJHB-UHFFFAOYSA-N
XLogP4.02
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamido-2-methylphenyl)-2,6-dimethylquinoline-4-carboxamide
CID 134019170
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 2174448
3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
CID 34746741
6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 18158456
2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
CID 34167121
2,6-dimethyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 18107562
2-[(2-methylsulfanylbenzoyl)amino]-N-prop-2-enylbenzamide
CID 2228039
2-(butanoylamino)-N-prop-2-enylbenzamide
CID 4932304
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 9245587
2-[(3-fluorobenzoyl)amino]-N-prop-2-enylbenzamide
CID 6461650
N-(2-fluoro-5-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17434472
2,6-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
CID 36556980

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]quinoline-4-carboxamide (CID 134008567) is 2,6-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]quinoline-4-carboxamide is C=CCNC(=O)c1ccccc1NC(=O)c1cc(C)nc2ccc(C)cc12.
What is the InChIKey of 2,6-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]quinoline-4-carboxamide?
The InChIKey is BBEGKHUYGUTJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-4-11-23-21(26)16-7-5-6-8-19(16)25-22(27)18-13-15(3)24-20-10-9-14(2)12-17(18)20/h4-10,12-13H,1,11H2,2-3H3,(H,23,26)(H,25,27).
What are the key properties of 2,6-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]quinoline-4-carboxamide?
2,6-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]quinoline-4-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[2-(prop-2-enylcarbamoyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 134008567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).