N-(3-nitrophenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide

C25H21N3O4 — CID 1003099

IUPACN-(3-nitrophenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide
SMILESCC(C)Oc1ccccc1-c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2n1
InChIInChI=1S/C25H21N3O4/c1-16(2)32-24-13-6-4-11-20(24)23-15-21(19-10-3-5-12-22(19)27-23)25(29)26-17-8-7-9-18(14-17)28(30)31/h3-16H,1-2H3,(H,26,29)
InChIKeyQGQXZJJQNSNVJL-UHFFFAOYSA-N
MW427.46 g/mol
LogP5.85
Rot. Bonds6

About N-(3-nitrophenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide

N-(3-nitrophenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide (PubChem CID 1003099) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide
PubChem CID1003099
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC NameN-(3-nitrophenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide
SMILESCC(C)Oc1ccccc1-c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2n1
InChIInChI=1S/C25H21N3O4/c1-16(2)32-24-13-6-4-11-20(24)23-15-21(19-10-3-5-12-22(19)27-23)25(29)26-17-8-7-9-18(14-17)28(30)31/h3-16H,1-2H3,(H,26,29)
InChIKeyQGQXZJJQNSNVJL-UHFFFAOYSA-N
XLogP5.85
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.46
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-nitrophenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide 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-(2-chlorophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 1220548
2-(4-bromophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 5047594
2-(5-chlorothiophen-2-yl)-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 1023167
6-methyl-N-(3-nitrophenyl)-2-phenylquinoline-4-carboxamide
CID 1122087
2-cyclopropyl-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 9040689
N-(2,4-dimethoxyphenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 997833
2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 3276867
N-(3-nitro-5-phenoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 3107712
2-(2,4-dimethoxyphenyl)-N-(2-methoxy-4-nitrophenyl)quinoline-4-carboxamide
CID 2933028
[1-(3-nitroanilino)-1-oxopropan-2-yl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 5161556
[2-[(3-nitrophenyl)carbamoyl]phenyl] acetate
CID 3365473
N-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55778991

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(3-nitrophenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide (CID 1003099) is N-(3-nitrophenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(3-nitrophenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(3-nitrophenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide is CC(C)Oc1ccccc1-c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2n1.
What is the InChIKey of N-(3-nitrophenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The InChIKey is QGQXZJJQNSNVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-16(2)32-24-13-6-4-11-20(24)23-15-21(19-10-3-5-12-22(19)27-23)25(29)26-17-8-7-9-18(14-17)28(30)31/h3-16H,1-2H3,(H,26,29).
What are the key properties of N-(3-nitrophenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide?
N-(3-nitrophenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1003099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).