2-cyclopropyl-N-(3-nitrophenyl)quinoline-4-carboxamide

C19H15N3O3 — CID 9040689

IUPAC2-cyclopropyl-N-(3-nitrophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C19H15N3O3/c23-19(20-13-4-3-5-14(10-13)22(24)25)16-11-18(12-8-9-12)21-17-7-2-1-6-15(16)17/h1-7,10-12H,8-9H2,(H,20,23)
InChIKeySERSFCJVJKLGBZ-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.27
Rot. Bonds4

About 2-cyclopropyl-N-(3-nitrophenyl)quinoline-4-carboxamide

2-cyclopropyl-N-(3-nitrophenyl)quinoline-4-carboxamide (PubChem CID 9040689) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-(3-nitrophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(3-nitrophenyl)quinoline-4-carboxamide
PubChem CID9040689
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name2-cyclopropyl-N-(3-nitrophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C19H15N3O3/c23-19(20-13-4-3-5-14(10-13)22(24)25)16-11-18(12-8-9-12)21-17-7-2-1-6-15(16)17/h1-7,10-12H,8-9H2,(H,20,23)
InChIKeySERSFCJVJKLGBZ-UHFFFAOYSA-N
XLogP4.27
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.27
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'}

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Related Compounds

2-cyclopropyl-N-[(E)-(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide
CID 6884339
2-(4-bromophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 5047594
2-(2-chlorophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 1220548
N-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide
CID 30456130
2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide
CID 31745720
2-(5-chlorothiophen-2-yl)-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 1023167
N-(3-nitrophenyl)-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 1003099
6-methyl-N-(3-nitrophenyl)-2-phenylquinoline-4-carboxamide
CID 1122087
N-[3-(butylsulfamoyl)phenyl]-2-cyclopropylquinoline-4-carboxamide
CID 35618286
2-cyclopropyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]quinoline-4-carboxamide
CID 60554928
methyl N-[4-[(2-cyclopropylquinoline-4-carbonyl)amino]phenyl]-N-methylcarbamate
CID 60578469
2-cyclopropyl-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 9209411

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(3-nitrophenyl)quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(3-nitrophenyl)quinoline-4-carboxamide (CID 9040689) is 2-cyclopropyl-N-(3-nitrophenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(3-nitrophenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(3-nitrophenyl)quinoline-4-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of 2-cyclopropyl-N-(3-nitrophenyl)quinoline-4-carboxamide?
The InChIKey is SERSFCJVJKLGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-19(20-13-4-3-5-14(10-13)22(24)25)16-11-18(12-8-9-12)21-17-7-2-1-6-15(16)17/h1-7,10-12H,8-9H2,(H,20,23).
What are the key properties of 2-cyclopropyl-N-(3-nitrophenyl)quinoline-4-carboxamide?
2-cyclopropyl-N-(3-nitrophenyl)quinoline-4-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(3-nitrophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 9040689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).