N-(diaminomethylidene)-2-[2-(3-methylpentyl)phenyl]quinoline-4-carboxamide

C23H26N4O — CID 19955955

IUPACN-(diaminomethylidene)-2-[2-(3-methylpentyl)phenyl]quinoline-4-carboxamide
SMILESCCC(C)CCc1ccccc1-c1cc(C(=O)N=C(N)N)c2ccccc2n1
InChIInChI=1S/C23H26N4O/c1-3-15(2)12-13-16-8-4-5-9-17(16)21-14-19(22(28)27-23(24)25)18-10-6-7-11-20(18)26-21/h4-11,14-15H,3,12-13H2,1-2H3,(H4,24,25,27,28)
InChIKeyQGIZMBKGBCWGGB-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.29
Rot. Bonds6

About N-(diaminomethylidene)-2-[2-(3-methylpentyl)phenyl]quinoline-4-carboxamide

N-(diaminomethylidene)-2-[2-(3-methylpentyl)phenyl]quinoline-4-carboxamide (PubChem CID 19955955) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-[2-(3-methylpentyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-[2-(3-methylpentyl)phenyl]quinoline-4-carboxamide
PubChem CID19955955
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-(diaminomethylidene)-2-[2-(3-methylpentyl)phenyl]quinoline-4-carboxamide
SMILESCCC(C)CCc1ccccc1-c1cc(C(=O)N=C(N)N)c2ccccc2n1
InChIInChI=1S/C23H26N4O/c1-3-15(2)12-13-16-8-4-5-9-17(16)21-14-19(22(28)27-23(24)25)18-10-6-7-11-20(18)26-21/h4-11,14-15H,3,12-13H2,1-2H3,(H4,24,25,27,28)
InChIKeyQGIZMBKGBCWGGB-UHFFFAOYSA-N
XLogP4.29
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butan-2-ylphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide
CID 19955934
2-(2-chlorophenyl)-N-(diaminomethylidene)quinoline-4-carboxamide;methanesulfonic acid
CID 23204031
N-(diaminomethylidene)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 19955910
N-(diaminomethylidene)-2-[3-(3,3-dimethylbutan-2-yl)phenyl]quinoline-4-carboxamide
CID 19955997
2-(4-bromophenyl)-N-(diaminomethylidene)quinoline-4-carboxamide
CID 19955905
2-(2-cyclopentyloxyphenyl)-N-(diaminomethylidene)quinoline-4-carboxamide
CID 19955850
N-(diaminomethylidene)-2-[4-(2,2-dimethylbutyl)phenyl]quinoline-4-carboxamide
CID 22372954
N-(diaminomethylidene)-2-[3-(ethoxymethoxy)phenyl]quinoline-4-carboxamide
CID 19955653
N-(diaminomethylidene)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide;methanesulfonic acid
CID 23204013
N-(diaminomethylidene)-7-ethoxy-2-phenylquinoline-4-carboxamide
CID 54075171
2-(2-aminophenyl)quinoline-4-carboxylic acid
CID 131879149
N-(diaminomethylidene)-8-hydroxy-2-(2-methylphenyl)quinoline-4-carboxamide
CID 19955827

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2-[2-(3-methylpentyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of N-(diaminomethylidene)-2-[2-(3-methylpentyl)phenyl]quinoline-4-carboxamide (CID 19955955) is N-(diaminomethylidene)-2-[2-(3-methylpentyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-2-[2-(3-methylpentyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-2-[2-(3-methylpentyl)phenyl]quinoline-4-carboxamide is CCC(C)CCc1ccccc1-c1cc(C(=O)N=C(N)N)c2ccccc2n1.
What is the InChIKey of N-(diaminomethylidene)-2-[2-(3-methylpentyl)phenyl]quinoline-4-carboxamide?
The InChIKey is QGIZMBKGBCWGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-3-15(2)12-13-16-8-4-5-9-17(16)21-14-19(22(28)27-23(24)25)18-10-6-7-11-20(18)26-21/h4-11,14-15H,3,12-13H2,1-2H3,(H4,24,25,27,28).
What are the key properties of N-(diaminomethylidene)-2-[2-(3-methylpentyl)phenyl]quinoline-4-carboxamide?
N-(diaminomethylidene)-2-[2-(3-methylpentyl)phenyl]quinoline-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-[2-(3-methylpentyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 19955955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).