3-amino-N-[cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide

C26H23N3O — CID 52942335

IUPAC3-amino-N-[cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide
SMILESNc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(c1ccccc1)C1CC1
InChIInChI=1S/C26H23N3O/c27-23-22(26(30)29-24(19-15-16-19)17-9-3-1-4-10-17)20-13-7-8-14-21(20)28-25(23)18-11-5-2-6-12-18/h1-14,19,24H,15-16,27H2,(H,29,30)
InChIKeyIJZKXXAVXWWWOP-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.37
Rot. Bonds5

About 3-amino-N-[cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide

3-amino-N-[cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide (PubChem CID 52942335) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-amino-N-[cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-[cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide
PubChem CID52942335
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Name3-amino-N-[cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide
SMILESNc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(c1ccccc1)C1CC1
InChIInChI=1S/C26H23N3O/c27-23-22(26(30)29-24(19-15-16-19)17-9-3-1-4-10-17)20-13-7-8-14-21(20)28-25(23)18-11-5-2-6-12-18/h1-14,19,24H,15-16,27H2,(H,29,30)
InChIKeyIJZKXXAVXWWWOP-UHFFFAOYSA-N
XLogP5.37
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 10762413
2-[4-[[(S)-cyclopropyl-(3-fluorophenyl)methyl]carbamoyl]-2-phenylquinolin-3-yl]acetic acid
CID 70326634
[4-[[cyclopropyl(phenyl)methyl]carbamoyl]-2-(3-fluorophenyl)quinolin-3-yl] methanesulfonate
CID 15604882
N-[cyclopropyl-(3-phosphanylphenyl)methyl]-3-(2-methylsulfanylethyl)-2-phenylquinoline-4-carboxamide
CID 143429029
3-[[acetyl(ethyl)amino]methyl]-N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-phenylquinoline-4-carboxamide
CID 11712984
3-amino-2-phenylquinoline-4-carboxamide
CID 140977990
N-[(S)-cyclopropyl(phenyl)methyl]-2-(3-fluorophenyl)-3-[[(2Z)-2-(2-iminoethylidene)hydrazinyl]methyl]quinoline-4-carboxamide
CID 142998832
3-amino-N-[1-(3-hydroxy-2-pyridinyl)propyl]-2-phenylquinoline-4-carboxamide
CID 140531563
N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-3-methyl-2-propan-2-yloxyquinoline-4-carboxamide
CID 44529466
6-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 166393903
methyl 2-(4-carbamoyl-2-phenylquinolin-3-yl)-2-phenylacetate
CID 67629826
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of 3-amino-N-[cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide (CID 52942335) is 3-amino-N-[cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 3-amino-N-[cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 3-amino-N-[cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide is Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(c1ccccc1)C1CC1.
What is the InChIKey of 3-amino-N-[cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is IJZKXXAVXWWWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c27-23-22(26(30)29-24(19-15-16-19)17-9-3-1-4-10-17)20-13-7-8-14-21(20)28-25(23)18-11-5-2-6-12-18/h1-14,19,24H,15-16,27H2,(H,29,30).
What are the key properties of 3-amino-N-[cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide?
3-amino-N-[cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 52942335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).