N-ethyl-7-fluoro-N-(2-hydroxyethyl)-2-methylquinoline-4-carboxamide

C15H17FN2O2 — CID 78860252

IUPACN-ethyl-7-fluoro-N-(2-hydroxyethyl)-2-methylquinoline-4-carboxamide
SMILESCCN(CCO)C(=O)c1cc(C)nc2cc(F)ccc12
InChIInChI=1S/C15H17FN2O2/c1-3-18(6-7-19)15(20)13-8-10(2)17-14-9-11(16)4-5-12(13)14/h4-5,8-9,19H,3,6-7H2,1-2H3
InChIKeyCYFKRRWQUXUYCE-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.14
Rot. Bonds4

About N-ethyl-7-fluoro-N-(2-hydroxyethyl)-2-methylquinoline-4-carboxamide

N-ethyl-7-fluoro-N-(2-hydroxyethyl)-2-methylquinoline-4-carboxamide (PubChem CID 78860252) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is N-ethyl-7-fluoro-N-(2-hydroxyethyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-7-fluoro-N-(2-hydroxyethyl)-2-methylquinoline-4-carboxamide
PubChem CID78860252
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC NameN-ethyl-7-fluoro-N-(2-hydroxyethyl)-2-methylquinoline-4-carboxamide
SMILESCCN(CCO)C(=O)c1cc(C)nc2cc(F)ccc12
InChIInChI=1S/C15H17FN2O2/c1-3-18(6-7-19)15(20)13-8-10(2)17-14-9-11(16)4-5-12(13)14/h4-5,8-9,19H,3,6-7H2,1-2H3
InChIKeyCYFKRRWQUXUYCE-UHFFFAOYSA-N
XLogP2.14
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-fluoro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 60706405
6-fluoro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide
CID 110489255
N-ethyl-2,4-difluoro-N-(2-hydroxyethyl)benzamide
CID 60653825
N-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide
CID 113339465
N,N-diethyl-8-fluoro-2-methylquinoline-4-carboxamide
CID 110489286
7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylquinoline-4-carboxamide
CID 110003775
7-fluoro-N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethylquinoline-4-carboxamide
CID 109400346
7-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
CID 86858306
6-amino-N,N-diethyl-2-methylquinoline-4-carboxamide
CID 110489421
2-(difluoromethoxy)-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 109468392
7-fluoro-N,2-dimethyl-N-[(2-nitrophenyl)methyl]quinoline-4-carboxamide
CID 46687409
7-fluoro-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]quinoline-4-carboxamide
CID 55608409

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-fluoro-N-(2-hydroxyethyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-ethyl-7-fluoro-N-(2-hydroxyethyl)-2-methylquinoline-4-carboxamide (CID 78860252) is N-ethyl-7-fluoro-N-(2-hydroxyethyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-ethyl-7-fluoro-N-(2-hydroxyethyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-ethyl-7-fluoro-N-(2-hydroxyethyl)-2-methylquinoline-4-carboxamide is CCN(CCO)C(=O)c1cc(C)nc2cc(F)ccc12.
What is the InChIKey of N-ethyl-7-fluoro-N-(2-hydroxyethyl)-2-methylquinoline-4-carboxamide?
The InChIKey is CYFKRRWQUXUYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-3-18(6-7-19)15(20)13-8-10(2)17-14-9-11(16)4-5-12(13)14/h4-5,8-9,19H,3,6-7H2,1-2H3.
What are the key properties of N-ethyl-7-fluoro-N-(2-hydroxyethyl)-2-methylquinoline-4-carboxamide?
N-ethyl-7-fluoro-N-(2-hydroxyethyl)-2-methylquinoline-4-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-fluoro-N-(2-hydroxyethyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 78860252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).