N-(4-aminophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide

C17H19N3O — CID 43468929

IUPACN-(4-aminophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCC1CCc2ccccc2N1C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C17H19N3O/c1-12-6-7-13-4-2-3-5-16(13)20(12)17(21)19-15-10-8-14(18)9-11-15/h2-5,8-12H,6-7,18H2,1H3,(H,19,21)
InChIKeyCWBRKBQGKYLPPO-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.64
Rot. Bonds1

About N-(4-aminophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide

N-(4-aminophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 43468929) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID43468929
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-(4-aminophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCC1CCc2ccccc2N1C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C17H19N3O/c1-12-6-7-13-4-2-3-5-16(13)20(12)17(21)19-15-10-8-14(18)9-11-15/h2-5,8-12H,6-7,18H2,1H3,(H,19,21)
InChIKeyCWBRKBQGKYLPPO-UHFFFAOYSA-N
XLogP3.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108991651
N-(4-aminophenyl)-2,3-dihydroindole-1-carboxamide
CID 43469027
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetate
CID 112616576
4-[(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid
CID 61183225
2-methyl-N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
CID 2944621
(5-hydrazinyl-2-pyridinyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 104642134
2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 22328468
2-bromo-2-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 116816888
[5-(methylamino)-2-pyridinyl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 104639658
2-(3,5-dimethylanilino)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 46538646
(2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 93056889
ethyl 4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]benzoate
CID 2954621

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-(4-aminophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide (CID 43468929) is N-(4-aminophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide is CC1CCc2ccccc2N1C(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is CWBRKBQGKYLPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-6-7-13-4-2-3-5-16(13)20(12)17(21)19-15-10-8-14(18)9-11-15/h2-5,8-12H,6-7,18H2,1H3,(H,19,21).
What are the key properties of N-(4-aminophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
N-(4-aminophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 43468929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).