N-(diaminomethylidene)-1-(2-methylquinolin-4-yl)indole-3-carboxamide

C20H17N5O — CID 10020317

IUPACN-(diaminomethylidene)-1-(2-methylquinolin-4-yl)indole-3-carboxamide
SMILESCc1cc(-n2cc(C(=O)N=C(N)N)c3ccccc32)c2ccccc2n1
InChIInChI=1S/C20H17N5O/c1-12-10-18(14-7-2-4-8-16(14)23-12)25-11-15(19(26)24-20(21)22)13-6-3-5-9-17(13)25/h2-11H,1H3,(H4,21,22,24,26)
InChIKeyUWMTZUKAJDEOFI-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.90
Rot. Bonds2

About N-(diaminomethylidene)-1-(2-methylquinolin-4-yl)indole-3-carboxamide

N-(diaminomethylidene)-1-(2-methylquinolin-4-yl)indole-3-carboxamide (PubChem CID 10020317) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(diaminomethylidene)-1-(2-methylquinolin-4-yl)indole-3-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-1-(2-methylquinolin-4-yl)indole-3-carboxamide
PubChem CID10020317
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(diaminomethylidene)-1-(2-methylquinolin-4-yl)indole-3-carboxamide
SMILESCc1cc(-n2cc(C(=O)N=C(N)N)c3ccccc32)c2ccccc2n1
InChIInChI=1S/C20H17N5O/c1-12-10-18(14-7-2-4-8-16(14)23-12)25-11-15(19(26)24-20(21)22)13-6-3-5-9-17(13)25/h2-11H,1H3,(H4,21,22,24,26)
InChIKeyUWMTZUKAJDEOFI-UHFFFAOYSA-N
XLogP2.90
TPSA99.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.90
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)-1-(2-methylquinolin-4-yl)indole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-1-(2-methylquinolin-4-yl)indole-3-carboxamide?
The IUPAC name of N-(diaminomethylidene)-1-(2-methylquinolin-4-yl)indole-3-carboxamide (CID 10020317) is N-(diaminomethylidene)-1-(2-methylquinolin-4-yl)indole-3-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-1-(2-methylquinolin-4-yl)indole-3-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-1-(2-methylquinolin-4-yl)indole-3-carboxamide is Cc1cc(-n2cc(C(=O)N=C(N)N)c3ccccc32)c2ccccc2n1.
What is the InChIKey of N-(diaminomethylidene)-1-(2-methylquinolin-4-yl)indole-3-carboxamide?
The InChIKey is UWMTZUKAJDEOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-12-10-18(14-7-2-4-8-16(14)23-12)25-11-15(19(26)24-20(21)22)13-6-3-5-9-17(13)25/h2-11H,1H3,(H4,21,22,24,26).
What are the key properties of N-(diaminomethylidene)-1-(2-methylquinolin-4-yl)indole-3-carboxamide?
N-(diaminomethylidene)-1-(2-methylquinolin-4-yl)indole-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-1-(2-methylquinolin-4-yl)indole-3-carboxamide is sourced from PubChem (CID 10020317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).