2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]quinoline-4-carboxamide

C18H14N4O3 — CID 6863419

IUPAC2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2n1
InChIInChI=1S/C18H14N4O3/c1-12-10-16(15-4-2-3-5-17(15)20-12)18(23)21-19-11-13-6-8-14(9-7-13)22(24)25/h2-11H,1H3,(H,21,23)/b19-11+
InChIKeyRJPFFSPMWKRWNB-YBFXNURJSA-N
MW334.34 g/mol
LogP3.22
Rot. Bonds4

About 2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]quinoline-4-carboxamide

2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]quinoline-4-carboxamide (PubChem CID 6863419) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]quinoline-4-carboxamide
PubChem CID6863419
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2n1
InChIInChI=1S/C18H14N4O3/c1-12-10-16(15-4-2-3-5-17(15)20-12)18(23)21-19-11-13-6-8-14(9-7-13)22(24)25/h2-11H,1H3,(H,21,23)/b19-11+
InChIKeyRJPFFSPMWKRWNB-YBFXNURJSA-N
XLogP3.22
TPSA97.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]quinoline-4-carboxamide (CID 6863419) is 2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]quinoline-4-carboxamide is Cc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is RJPFFSPMWKRWNB-YBFXNURJSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-12-10-16(15-4-2-3-5-17(15)20-12)18(23)21-19-11-13-6-8-14(9-7-13)22(24)25/h2-11H,1H3,(H,21,23)/b19-11+.
What are the key properties of 2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]quinoline-4-carboxamide?
2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 6863419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).