N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-8-carboxamide

C22H23N3O2 — CID 131951730

IUPACN-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-8-carboxamide
SMILESCc1ccc(C(=O)NCC(C)C)cc1NC(=O)c1cccc2cccnc12
InChIInChI=1S/C22H23N3O2/c1-14(2)13-24-21(26)17-10-9-15(3)19(12-17)25-22(27)18-8-4-6-16-7-5-11-23-20(16)18/h4-12,14H,13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyVIHCBDVAWIZCQT-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.18
Rot. Bonds5

About N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-8-carboxamide

N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-8-carboxamide (PubChem CID 131951730) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-8-carboxamide
PubChem CID131951730
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-8-carboxamide
SMILESCc1ccc(C(=O)NCC(C)C)cc1NC(=O)c1cccc2cccnc12
InChIInChI=1S/C22H23N3O2/c1-14(2)13-24-21(26)17-10-9-15(3)19(12-17)25-22(27)18-8-4-6-16-7-5-11-23-20(16)18/h4-12,14H,13H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyVIHCBDVAWIZCQT-UHFFFAOYSA-N
XLogP4.18
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-2-carboxamide
CID 131899479
3-benzamido-4-methyl-N-(2-quinolin-8-ylethyl)benzamide
CID 39316228
N-(2,3-dimethylphenyl)quinoline-8-carboxamide
CID 30267815
N-[2-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
CID 120829987
N-(2-methylpropyl)-2-[(2-quinolin-8-ylacetyl)amino]benzamide
CID 51321090
N-[2-[(4-hydroxybenzoyl)amino]ethyl]quinoline-8-carboxamide
CID 60517244
N-(2-methylpropyl)-N'-quinolin-8-yloxamide
CID 47225581
N-(2-methylpropyl)-1,6-naphthyridine-8-carboxamide
CID 91949075
N-(5-fluoro-2-methylphenyl)-8-hydroxyquinoline-7-carboxamide
CID 18372561
N-(3-methylphenyl)quinoline-8-carboxamide
CID 30267656
[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] quinoline-8-carboxylate
CID 9061835
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]quinoline-8-carboxamide
CID 94028950

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-8-carboxamide?
The IUPAC name of N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-8-carboxamide (CID 131951730) is N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-8-carboxamide?
The canonical SMILES for N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-8-carboxamide is Cc1ccc(C(=O)NCC(C)C)cc1NC(=O)c1cccc2cccnc12.
What is the InChIKey of N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-8-carboxamide?
The InChIKey is VIHCBDVAWIZCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14(2)13-24-21(26)17-10-9-15(3)19(12-17)25-22(27)18-8-4-6-16-7-5-11-23-20(16)18/h4-12,14H,13H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-8-carboxamide?
N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-8-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-8-carboxamide is sourced from PubChem (CID 131951730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).