N-(diaminomethylidene)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide

C19H18N4O — CID 19955910

IUPACN-(diaminomethylidene)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N=C(N)N)c3ccccc3n2)c(C)c1
InChIInChI=1S/C19H18N4O/c1-11-7-8-13(12(2)9-11)17-10-15(18(24)23-19(20)21)14-5-3-4-6-16(14)22-17/h3-10H,1-2H3,(H4,20,21,23,24)
InChIKeyAPZPVPMWQNEJMS-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.93
Rot. Bonds2

About N-(diaminomethylidene)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide

N-(diaminomethylidene)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide (PubChem CID 19955910) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
PubChem CID19955910
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-(diaminomethylidene)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N=C(N)N)c3ccccc3n2)c(C)c1
InChIInChI=1S/C19H18N4O/c1-11-7-8-13(12(2)9-11)17-10-15(18(24)23-19(20)21)14-5-3-4-6-16(14)22-17/h3-10H,1-2H3,(H4,20,21,23,24)
InChIKeyAPZPVPMWQNEJMS-UHFFFAOYSA-N
XLogP2.93
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.93
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
2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4178944
N-(diaminomethylidene)-2-(3,4-dimethylphenyl)quinoline-4-carboxamide;methanesulfonic acid
CID 23204013
[2-(carbamoylamino)-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 42971764
N-(2-amino-2-oxoethyl)-2-(2,4-dimethylphenyl)-N-propan-2-ylquinoline-4-carboxamide
CID 112794088
2-(4-bromophenyl)-N-(diaminomethylidene)quinoline-4-carboxamide
CID 19955905
N-(diaminomethylidene)-8-hydroxy-2-(2-methylphenyl)quinoline-4-carboxamide
CID 19955827
2-(2,4-dimethylphenyl)-N,N-bis(2-methylpropyl)quinoline-4-carboxamide
CID 4119732
2-(2,4-dimethylphenyl)-4-phenylquinoline
CID 8966123
2-(2,4-dimethylphenyl)-4-(4-methylphenyl)quinoline
CID 86102330
N,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4176250

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(diaminomethylidene)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide (CID 19955910) is N-(diaminomethylidene)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)N=C(N)N)c3ccccc3n2)c(C)c1.
What is the InChIKey of N-(diaminomethylidene)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide?
The InChIKey is APZPVPMWQNEJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-11-7-8-13(12(2)9-11)17-10-15(18(24)23-19(20)21)14-5-3-4-6-16(14)22-17/h3-10H,1-2H3,(H4,20,21,23,24).
What are the key properties of N-(diaminomethylidene)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide?
N-(diaminomethylidene)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 19955910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).