8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide

C15H17ClN2O — CID 110489310

IUPAC8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)nc2c(Cl)cccc12
InChIInChI=1S/C15H17ClN2O/c1-4-18(5-2)15(19)12-9-10(3)17-14-11(12)7-6-8-13(14)16/h6-9H,4-5H2,1-3H3
InChIKeyXRKGHVMFBNMYSN-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.68
Rot. Bonds3

About 8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide

8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide (PubChem CID 110489310) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide
PubChem CID110489310
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)nc2c(Cl)cccc12
InChIInChI=1S/C15H17ClN2O/c1-4-18(5-2)15(19)12-9-10(3)17-14-11(12)7-6-8-13(14)16/h6-9H,4-5H2,1-3H3
InChIKeyXRKGHVMFBNMYSN-UHFFFAOYSA-N
XLogP3.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-8-fluoro-2-methylquinoline-4-carboxamide
CID 110489286
8-chloro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide
CID 110489307
N-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide
CID 53016160
5-chloro-N,N-diethylnaphthalene-1-carboxamide
CID 50850160
2-(8-chloro-2-methylquinolin-4-yl)acetamide
CID 82575392
8-chloro-N-[(2,4-dihydroxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 77080512
(E)-3-(8-chloro-2-methylquinolin-4-yl)prop-2-enoic acid
CID 82448940
6-amino-N,N-diethyl-2-methylquinoline-4-carboxamide
CID 110489421
3-chloro-N,N-diethyl-2-hydroxybenzamide
CID 68591956
8-chloro-N,N-dimethyl-2-(methylamino)quinoline-4-carboxamide
CID 53016644
3-chloro-N,N-diethyl-2-fluorobenzamide
CID 80949009
1-(8-ethyl-2-methylquinolin-4-yl)ethanone
CID 82447963

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide?
The IUPAC name of 8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide (CID 110489310) is 8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide?
The canonical SMILES for 8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide is CCN(CC)C(=O)c1cc(C)nc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide?
The InChIKey is XRKGHVMFBNMYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-4-18(5-2)15(19)12-9-10(3)17-14-11(12)7-6-8-13(14)16/h6-9H,4-5H2,1-3H3.
What are the key properties of 8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide?
8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide has a molecular weight of 276.77 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 110489310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).