N-(diaminomethylidene)-5-methyl-1-quinolin-2-ylindole-3-carboxamide;hydrochloride

C20H18ClN5O — CID 68971408

IUPACN-(diaminomethylidene)-5-methyl-1-quinolin-2-ylindole-3-carboxamide;hydrochloride
SMILESCc1ccc2c(c1)c(C(=O)N=C(N)N)cn2-c1ccc2ccccc2n1.Cl
InChIInChI=1S/C20H17N5O.ClH/c1-12-6-8-17-14(10-12)15(19(26)24-20(21)22)11-25(17)18-9-7-13-4-2-3-5-16(13)23-18;/h2-11H,1H3,(H4,21,22,24,26);1H
InChIKeyRHKOVJBPKUSOCF-UHFFFAOYSA-N
MW379.85 g/mol
LogP3.32
Rot. Bonds2

About N-(diaminomethylidene)-5-methyl-1-quinolin-2-ylindole-3-carboxamide;hydrochloride

N-(diaminomethylidene)-5-methyl-1-quinolin-2-ylindole-3-carboxamide;hydrochloride (PubChem CID 68971408) has the molecular formula C20H18ClN5O and a molecular weight of 379.85 g/mol. Its IUPAC name is N-(diaminomethylidene)-5-methyl-1-quinolin-2-ylindole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)-5-methyl-1-quinolin-2-ylindole-3-carboxamide;hydrochloride
PubChem CID68971408
Molecular FormulaC20H18ClN5O
Molecular Weight379.85 g/mol
Exact Mass379.12
IUPAC NameN-(diaminomethylidene)-5-methyl-1-quinolin-2-ylindole-3-carboxamide;hydrochloride
SMILESCc1ccc2c(c1)c(C(=O)N=C(N)N)cn2-c1ccc2ccccc2n1.Cl
InChIInChI=1S/C20H17N5O.ClH/c1-12-6-8-17-14(10-12)15(19(26)24-20(21)22)11-25(17)18-9-7-13-4-2-3-5-16(13)23-18;/h2-11H,1H3,(H4,21,22,24,26);1H
InChIKeyRHKOVJBPKUSOCF-UHFFFAOYSA-N
XLogP3.32
TPSA99.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.32
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)-5-methyl-1-quinolin-2-ylindole-3-carboxamide;hydrochloride 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)-5-methyl-1-quinolin-2-ylindole-3-carboxamide;hydrochloride?
The IUPAC name of N-(diaminomethylidene)-5-methyl-1-quinolin-2-ylindole-3-carboxamide;hydrochloride (CID 68971408) is N-(diaminomethylidene)-5-methyl-1-quinolin-2-ylindole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)-5-methyl-1-quinolin-2-ylindole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)-5-methyl-1-quinolin-2-ylindole-3-carboxamide;hydrochloride is Cc1ccc2c(c1)c(C(=O)N=C(N)N)cn2-c1ccc2ccccc2n1.Cl.
What is the InChIKey of N-(diaminomethylidene)-5-methyl-1-quinolin-2-ylindole-3-carboxamide;hydrochloride?
The InChIKey is RHKOVJBPKUSOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O.ClH/c1-12-6-8-17-14(10-12)15(19(26)24-20(21)22)11-25(17)18-9-7-13-4-2-3-5-16(13)23-18;/h2-11H,1H3,(H4,21,22,24,26);1H.
What are the key properties of N-(diaminomethylidene)-5-methyl-1-quinolin-2-ylindole-3-carboxamide;hydrochloride?
N-(diaminomethylidene)-5-methyl-1-quinolin-2-ylindole-3-carboxamide;hydrochloride has a molecular weight of 379.85 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-5-methyl-1-quinolin-2-ylindole-3-carboxamide;hydrochloride is sourced from PubChem (CID 68971408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).