N-(diaminomethylidene)-4,8-dimethylquinoline-6-carboxamide

C13H14N4O — CID 67961435

IUPACN-(diaminomethylidene)-4,8-dimethylquinoline-6-carboxamide
SMILESCc1ccnc2c(C)cc(C(=O)N=C(N)N)cc12
InChIInChI=1S/C13H14N4O/c1-7-3-4-16-11-8(2)5-9(6-10(7)11)12(18)17-13(14)15/h3-6H,1-2H3,(H4,14,15,17,18)
InChIKeySRRIXQJLVQWJHN-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.27
Rot. Bonds1

About N-(diaminomethylidene)-4,8-dimethylquinoline-6-carboxamide

N-(diaminomethylidene)-4,8-dimethylquinoline-6-carboxamide (PubChem CID 67961435) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(diaminomethylidene)-4,8-dimethylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-4,8-dimethylquinoline-6-carboxamide
PubChem CID67961435
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-(diaminomethylidene)-4,8-dimethylquinoline-6-carboxamide
SMILESCc1ccnc2c(C)cc(C(=O)N=C(N)N)cc12
InChIInChI=1S/C13H14N4O/c1-7-3-4-16-11-8(2)5-9(6-10(7)11)12(18)17-13(14)15/h3-6H,1-2H3,(H4,14,15,17,18)
InChIKeySRRIXQJLVQWJHN-UHFFFAOYSA-N
XLogP1.27
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.27
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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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-4,8-dimethylquinoline-6-carboxamide?
The IUPAC name of N-(diaminomethylidene)-4,8-dimethylquinoline-6-carboxamide (CID 67961435) is N-(diaminomethylidene)-4,8-dimethylquinoline-6-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-4,8-dimethylquinoline-6-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-4,8-dimethylquinoline-6-carboxamide is Cc1ccnc2c(C)cc(C(=O)N=C(N)N)cc12.
What is the InChIKey of N-(diaminomethylidene)-4,8-dimethylquinoline-6-carboxamide?
The InChIKey is SRRIXQJLVQWJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-7-3-4-16-11-8(2)5-9(6-10(7)11)12(18)17-13(14)15/h3-6H,1-2H3,(H4,14,15,17,18).
What are the key properties of N-(diaminomethylidene)-4,8-dimethylquinoline-6-carboxamide?
N-(diaminomethylidene)-4,8-dimethylquinoline-6-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-4,8-dimethylquinoline-6-carboxamide is sourced from PubChem (CID 67961435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).