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

C23H19N3O4 — CID 10621059

IUPACN-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-nitrobenzamide
SMILESO=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C23H19N3O4/c27-22(19-8-2-4-10-21(19)26(29)30)24-18-13-11-17(12-14-18)23(28)25-15-5-7-16-6-1-3-9-20(16)25/h1-4,6,8-14H,5,7,15H2,(H,24,27)
InChIKeyRBDCBLCAUZBURK-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.44
Rot. Bonds4

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

N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-nitrobenzamide (PubChem CID 10621059) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-nitrobenzamide
PubChem CID10621059
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC NameN-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-nitrobenzamide
SMILESO=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C23H19N3O4/c27-22(19-8-2-4-10-21(19)26(29)30)24-18-13-11-17(12-14-18)23(28)25-15-5-7-16-6-1-3-9-20(16)25/h1-4,6,8-14H,5,7,15H2,(H,24,27)
InChIKeyRBDCBLCAUZBURK-UHFFFAOYSA-N
XLogP4.44
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-nitro-N-(2-phenylethyl)benzamide
CID 720792
2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)propyl)phenanthridin-6(5H)-one
CID 10216071
2-nitro-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
CID 11566274
4-Nitro-2-(2-phenylacetamido)benzamide
CID 44414909
N-[4-(3,4-Dihydro-2H-quinoline-1-carbonyl)-phenyl]-acetamide
CID 669479
N-[2-(4-morpholinylcarbonyl)phenyl]-2-(2-nitrophenyl)acetamide
CID 2211921
3-phenyl-N-{2-[N-benzylcarbamoyl]phenyl}propanamide
CID 1277922
4-nitro-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 11588119
(2E)-but-2-enedioic acid; N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-nitrobenzamide
CID 14783866
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-nitrobenzamide
CID 14783870
N-[4-(diethylamino)phenyl]-2-nitrobenzamide
CID 675939
N-(2-benzoyl-3-oxo-1,4-dihydroisoquinolin-7-yl)benzamide
CID 145965602

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-nitrobenzamide?
The IUPAC name of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-nitrobenzamide (CID 10621059) is N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-nitrobenzamide.
What is the SMILES notation for N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-nitrobenzamide?
The canonical SMILES for N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-nitrobenzamide is O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-nitrobenzamide?
The InChIKey is RBDCBLCAUZBURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c27-22(19-8-2-4-10-21(19)26(29)30)24-18-13-11-17(12-14-18)23(28)25-15-5-7-16-6-1-3-9-20(16)25/h1-4,6,8-14H,5,7,15H2,(H,24,27).
What are the key properties of N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-nitrobenzamide?
N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-nitrobenzamide has a molecular weight of 401.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2-nitrobenzamide is sourced from PubChem (CID 10621059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).