2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide

C21H22ClN3O — CID 15987786

IUPAC2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide
SMILESCCN(CC)c1cc(C)c2cc(NC(=O)c3ccccc3Cl)ccc2n1
InChIInChI=1S/C21H22ClN3O/c1-4-25(5-2)20-12-14(3)17-13-15(10-11-19(17)24-20)23-21(26)16-8-6-7-9-18(16)22/h6-13H,4-5H2,1-3H3,(H,23,26)
InChIKeyCACNOGXKMFVMLC-UHFFFAOYSA-N
MW367.88 g/mol
LogP5.30
Rot. Bonds5

About 2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide

2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide (PubChem CID 15987786) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide
PubChem CID15987786
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide
SMILESCCN(CC)c1cc(C)c2cc(NC(=O)c3ccccc3Cl)ccc2n1
InChIInChI=1S/C21H22ClN3O/c1-4-25(5-2)20-12-14(3)17-13-15(10-11-19(17)24-20)23-21(26)16-8-6-7-9-18(16)22/h6-13H,4-5H2,1-3H3,(H,23,26)
InChIKeyCACNOGXKMFVMLC-UHFFFAOYSA-N
XLogP5.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.88
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide (CID 15987786) is 2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide is CCN(CC)c1cc(C)c2cc(NC(=O)c3ccccc3Cl)ccc2n1.
What is the InChIKey of 2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide?
The InChIKey is CACNOGXKMFVMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c1-4-25(5-2)20-12-14(3)17-13-15(10-11-19(17)24-20)23-21(26)16-8-6-7-9-18(16)22/h6-13H,4-5H2,1-3H3,(H,23,26).
What are the key properties of 2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide?
2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide has a molecular weight of 367.88 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]benzamide is sourced from PubChem (CID 15987786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).