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

C15H17FN2O — CID 110489286

IUPACN,N-diethyl-8-fluoro-2-methylquinoline-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)nc2c(F)cccc12
InChIInChI=1S/C15H17FN2O/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
InChIKeyANQJYUYVZBLGRD-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.16
Rot. Bonds3

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

N,N-diethyl-8-fluoro-2-methylquinoline-4-carboxamide (PubChem CID 110489286) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is N,N-diethyl-8-fluoro-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-8-fluoro-2-methylquinoline-4-carboxamide
PubChem CID110489286
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC NameN,N-diethyl-8-fluoro-2-methylquinoline-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(C)nc2c(F)cccc12
InChIInChI=1S/C15H17FN2O/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
InChIKeyANQJYUYVZBLGRD-UHFFFAOYSA-N
XLogP3.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide
CID 110489310
8-fluoro-2-methyl-N-propylquinoline-4-carboxamide
CID 110489274
8-fluoro-2-methylquinoline-4-carboxylic acid;(8-fluoro-2-methylquinolin-4-yl)methanol
CID 159119849
N-tert-butyl-8-fluoro-2-methylquinoline-4-carboxamide
CID 110489287
8-fluoro-2-methyl-N-phenylquinoline-4-carboxamide
CID 110489296
N-ethyl-7-fluoro-N-(2-hydroxyethyl)-2-methylquinoline-4-carboxamide
CID 78860252
6-amino-N,N-diethyl-2-methylquinoline-4-carboxamide
CID 110489421
8-chloro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide
CID 110489307
1-(8-ethyl-2-methylquinolin-4-yl)ethanone
CID 82447963
N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
(8-fluoro-2-methylquinolin-4-yl)methanethiol
CID 82448814
1-(2,3-difluoroanilino)-N,N-diethyl-5-methylisoquinoline-4-carboxamide
CID 71186144

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-8-fluoro-2-methylquinoline-4-carboxamide?
The IUPAC name of N,N-diethyl-8-fluoro-2-methylquinoline-4-carboxamide (CID 110489286) is N,N-diethyl-8-fluoro-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N,N-diethyl-8-fluoro-2-methylquinoline-4-carboxamide?
The canonical SMILES for N,N-diethyl-8-fluoro-2-methylquinoline-4-carboxamide is CCN(CC)C(=O)c1cc(C)nc2c(F)cccc12.
What is the InChIKey of N,N-diethyl-8-fluoro-2-methylquinoline-4-carboxamide?
The InChIKey is ANQJYUYVZBLGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/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 N,N-diethyl-8-fluoro-2-methylquinoline-4-carboxamide?
N,N-diethyl-8-fluoro-2-methylquinoline-4-carboxamide has a molecular weight of 260.31 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-8-fluoro-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 110489286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).