N-(diaminomethylidene)-7-ethoxy-2-phenylquinoline-4-carboxamide

C19H18N4O2 — CID 54075171

IUPACN-(diaminomethylidene)-7-ethoxy-2-phenylquinoline-4-carboxamide
SMILESCCOc1ccc2c(C(=O)N=C(N)N)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C19H18N4O2/c1-2-25-13-8-9-14-15(18(24)23-19(20)21)11-16(22-17(14)10-13)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H4,20,21,23,24)
InChIKeyMJELZSGETGZHRQ-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.71
Rot. Bonds4

About N-(diaminomethylidene)-7-ethoxy-2-phenylquinoline-4-carboxamide

N-(diaminomethylidene)-7-ethoxy-2-phenylquinoline-4-carboxamide (PubChem CID 54075171) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(diaminomethylidene)-7-ethoxy-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-7-ethoxy-2-phenylquinoline-4-carboxamide
PubChem CID54075171
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-(diaminomethylidene)-7-ethoxy-2-phenylquinoline-4-carboxamide
SMILESCCOc1ccc2c(C(=O)N=C(N)N)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C19H18N4O2/c1-2-25-13-8-9-14-15(18(24)23-19(20)21)11-16(22-17(14)10-13)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H4,20,21,23,24)
InChIKeyMJELZSGETGZHRQ-UHFFFAOYSA-N
XLogP2.71
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(diaminomethylidene)-7-ethoxy-2-phenylquinoline-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

N-(diaminomethylidene)-2-[3-(ethoxymethoxy)phenyl]quinoline-4-carboxamide
CID 19955653
N-(diaminomethylidene)-7-(2,2-dimethylpropanoylamino)-2-phenylquinoline-4-carboxamide
CID 54554594
2-(4-bromophenyl)-N-(diaminomethylidene)quinoline-4-carboxamide
CID 19955905
N-(diaminomethylidene)-2-[4-(2,2-dimethylbutyl)phenyl]quinoline-4-carboxamide
CID 22372954
6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
CID 3511446
2-(2-butan-2-ylphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide
CID 19955934
3-[2-(4-ethoxyphenyl)quinolin-4-yl]-2-hydroxypropanamide
CID 170576328
N-(diaminomethylidene)-2-[3-(3,3-dimethylbutan-2-yl)phenyl]quinoline-4-carboxamide
CID 19955997
N-(diaminomethylidene)-2-(2-methylphenyl)-6-(3-pentoxypropoxy)quinoline-4-carboxamide
CID 19955924
N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide
CID 5055210
N-(diaminomethylidene)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide;methanesulfonic acid
CID 23204013
2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid
CID 753136

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-7-ethoxy-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(diaminomethylidene)-7-ethoxy-2-phenylquinoline-4-carboxamide (CID 54075171) is N-(diaminomethylidene)-7-ethoxy-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-7-ethoxy-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-7-ethoxy-2-phenylquinoline-4-carboxamide is CCOc1ccc2c(C(=O)N=C(N)N)cc(-c3ccccc3)nc2c1.
What is the InChIKey of N-(diaminomethylidene)-7-ethoxy-2-phenylquinoline-4-carboxamide?
The InChIKey is MJELZSGETGZHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-2-25-13-8-9-14-15(18(24)23-19(20)21)11-16(22-17(14)10-13)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H4,20,21,23,24).
What are the key properties of N-(diaminomethylidene)-7-ethoxy-2-phenylquinoline-4-carboxamide?
N-(diaminomethylidene)-7-ethoxy-2-phenylquinoline-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-7-ethoxy-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 54075171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).