N-(2-chloro-4-methylquinolin-7-yl)formamide

C11H9ClN2O — CID 168653241

IUPACN-(2-chloro-4-methylquinolin-7-yl)formamide
SMILESCc1cc(Cl)nc2cc(NC=O)ccc12
InChIInChI=1S/C11H9ClN2O/c1-7-4-11(12)14-10-5-8(13-6-15)2-3-9(7)10/h2-6H,1H3,(H,13,15)
InChIKeyGXMYBLYXMHRKRY-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.76
Rot. Bonds2

About N-(2-chloro-4-methylquinolin-7-yl)formamide

N-(2-chloro-4-methylquinolin-7-yl)formamide (PubChem CID 168653241) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is N-(2-chloro-4-methylquinolin-7-yl)formamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylquinolin-7-yl)formamide
PubChem CID168653241
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC NameN-(2-chloro-4-methylquinolin-7-yl)formamide
SMILESCc1cc(Cl)nc2cc(NC=O)ccc12
InChIInChI=1S/C11H9ClN2O/c1-7-4-11(12)14-10-5-8(13-6-15)2-3-9(7)10/h2-6H,1H3,(H,13,15)
InChIKeyGXMYBLYXMHRKRY-UHFFFAOYSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylquinolin-7-yl)formamide?
The IUPAC name of N-(2-chloro-4-methylquinolin-7-yl)formamide (CID 168653241) is N-(2-chloro-4-methylquinolin-7-yl)formamide.
What is the SMILES notation for N-(2-chloro-4-methylquinolin-7-yl)formamide?
The canonical SMILES for N-(2-chloro-4-methylquinolin-7-yl)formamide is Cc1cc(Cl)nc2cc(NC=O)ccc12.
What is the InChIKey of N-(2-chloro-4-methylquinolin-7-yl)formamide?
The InChIKey is GXMYBLYXMHRKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-7-4-11(12)14-10-5-8(13-6-15)2-3-9(7)10/h2-6H,1H3,(H,13,15).
What are the key properties of N-(2-chloro-4-methylquinolin-7-yl)formamide?
N-(2-chloro-4-methylquinolin-7-yl)formamide has a molecular weight of 220.66 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylquinolin-7-yl)formamide is sourced from PubChem (CID 168653241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).