N-(5-amino-7-methylquinolin-6-yl)-N-methylnitrous amide

C11H12N4O — CID 71313295

IUPACN-(5-amino-7-methylquinolin-6-yl)-N-methylnitrous amide
SMILESCc1cc2ncccc2c(N)c1N(C)N=O
InChIInChI=1S/C11H12N4O/c1-7-6-9-8(4-3-5-13-9)10(12)11(7)15(2)14-16/h3-6H,12H2,1-2H3
InChIKeyKOVMBPWBTMSKMF-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.24
Rot. Bonds2

About N-(5-amino-7-methylquinolin-6-yl)-N-methylnitrous amide

N-(5-amino-7-methylquinolin-6-yl)-N-methylnitrous amide (PubChem CID 71313295) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N-(5-amino-7-methylquinolin-6-yl)-N-methylnitrous amide.

Molecular Properties

Compound NameN-(5-amino-7-methylquinolin-6-yl)-N-methylnitrous amide
PubChem CID71313295
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN-(5-amino-7-methylquinolin-6-yl)-N-methylnitrous amide
SMILESCc1cc2ncccc2c(N)c1N(C)N=O
InChIInChI=1S/C11H12N4O/c1-7-6-9-8(4-3-5-13-9)10(12)11(7)15(2)14-16/h3-6H,12H2,1-2H3
InChIKeyKOVMBPWBTMSKMF-UHFFFAOYSA-N
XLogP2.24
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-7-methylquinolin-6-yl)-N-methylnitrous amide?
The IUPAC name of N-(5-amino-7-methylquinolin-6-yl)-N-methylnitrous amide (CID 71313295) is N-(5-amino-7-methylquinolin-6-yl)-N-methylnitrous amide.
What is the SMILES notation for N-(5-amino-7-methylquinolin-6-yl)-N-methylnitrous amide?
The canonical SMILES for N-(5-amino-7-methylquinolin-6-yl)-N-methylnitrous amide is Cc1cc2ncccc2c(N)c1N(C)N=O.
What is the InChIKey of N-(5-amino-7-methylquinolin-6-yl)-N-methylnitrous amide?
The InChIKey is KOVMBPWBTMSKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-7-6-9-8(4-3-5-13-9)10(12)11(7)15(2)14-16/h3-6H,12H2,1-2H3.
What are the key properties of N-(5-amino-7-methylquinolin-6-yl)-N-methylnitrous amide?
N-(5-amino-7-methylquinolin-6-yl)-N-methylnitrous amide has a molecular weight of 216.24 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-7-methylquinolin-6-yl)-N-methylnitrous amide is sourced from PubChem (CID 71313295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).