N-(diaminomethylidene)-3-methyl-2-phenylquinoline-4-carboxamide

C18H16N4O — CID 54166006

IUPACN-(diaminomethylidene)-3-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N=C(N)N
InChIInChI=1S/C18H16N4O/c1-11-15(17(23)22-18(19)20)13-9-5-6-10-14(13)21-16(11)12-7-3-2-4-8-12/h2-10H,1H3,(H4,19,20,22,23)
InChIKeyORRKRYGAELMJAJ-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.62
Rot. Bonds2

About N-(diaminomethylidene)-3-methyl-2-phenylquinoline-4-carboxamide

N-(diaminomethylidene)-3-methyl-2-phenylquinoline-4-carboxamide (PubChem CID 54166006) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(diaminomethylidene)-3-methyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-3-methyl-2-phenylquinoline-4-carboxamide
PubChem CID54166006
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-(diaminomethylidene)-3-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N=C(N)N
InChIInChI=1S/C18H16N4O/c1-11-15(17(23)22-18(19)20)13-9-5-6-10-14(13)21-16(11)12-7-3-2-4-8-12/h2-10H,1H3,(H4,19,20,22,23)
InChIKeyORRKRYGAELMJAJ-UHFFFAOYSA-N
XLogP2.62
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.62
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

3-methyl-2-phenylquinoline-4-carbonyl azide
CID 139234731
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
N-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 3639952
3-amino-2-phenylquinoline-4-carboxamide
CID 140977990
cyclohexanamine;3-methyl-2-phenylquinoline-4-carboxylic acid
CID 19715596
3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
CID 3540473
3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 4079544
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
ethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate
CID 4525423
(3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone
CID 868745
3-methyl-2-(4-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4292288
N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide
CID 3417174

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-3-methyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(diaminomethylidene)-3-methyl-2-phenylquinoline-4-carboxamide (CID 54166006) is N-(diaminomethylidene)-3-methyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-3-methyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-3-methyl-2-phenylquinoline-4-carboxamide is Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)N=C(N)N.
What is the InChIKey of N-(diaminomethylidene)-3-methyl-2-phenylquinoline-4-carboxamide?
The InChIKey is ORRKRYGAELMJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-11-15(17(23)22-18(19)20)13-9-5-6-10-14(13)21-16(11)12-7-3-2-4-8-12/h2-10H,1H3,(H4,19,20,22,23).
What are the key properties of N-(diaminomethylidene)-3-methyl-2-phenylquinoline-4-carboxamide?
N-(diaminomethylidene)-3-methyl-2-phenylquinoline-4-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-3-methyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 54166006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).