3-amino-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide

C23H21N3O2 — CID 19607806

IUPAC3-amino-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
SMILESNc1cccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c1
InChIInChI=1S/C23H21N3O2/c24-19-8-3-6-18(15-19)22(27)25-20-12-10-17(11-13-20)23(28)26-14-4-7-16-5-1-2-9-21(16)26/h1-3,5-6,8-13,15H,4,7,14,24H2,(H,25,27)
InChIKeyPYVLGZFLVIHPIZ-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.11
Rot. Bonds3

About 3-amino-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide

3-amino-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide (PubChem CID 19607806) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-amino-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
PubChem CID19607806
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name3-amino-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
SMILESNc1cccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c1
InChIInChI=1S/C23H21N3O2/c24-19-8-3-6-18(15-19)22(27)25-20-12-10-17(11-13-20)23(28)26-14-4-7-16-5-1-2-9-21(16)26/h1-3,5-6,8-13,15H,4,7,14,24H2,(H,25,27)
InChIKeyPYVLGZFLVIHPIZ-UHFFFAOYSA-N
XLogP4.11
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide
CID 19607809
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)benzamide
CID 109057134
N-(4-acetamidophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109057111
3-amino-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 6939897
(4-aminophenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10587836
N-(4-acetamidophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049557
2-[2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]carbamoyl]phenyl]benzoic acid
CID 22405102
4-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)benzamide
CID 109049539
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 121084310
N-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
CID 109055995
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide
CID 27557623

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-amino-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide (CID 19607806) is 3-amino-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-amino-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-amino-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide is Nc1cccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c1.
What is the InChIKey of 3-amino-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
The InChIKey is PYVLGZFLVIHPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c24-19-8-3-6-18(15-19)22(27)25-20-12-10-17(11-13-20)23(28)26-14-4-7-16-5-1-2-9-21(16)26/h1-3,5-6,8-13,15H,4,7,14,24H2,(H,25,27).
What are the key properties of 3-amino-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
3-amino-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide has a molecular weight of 371.44 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 19607806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).