7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylquinoline-4-carboxamide

C17H19FN2O3 — CID 111486130

IUPAC7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC2(O)CCOCC2)c2ccc(F)cc2n1
InChIInChI=1S/C17H19FN2O3/c1-11-8-14(13-3-2-12(18)9-15(13)20-11)16(21)19-10-17(22)4-6-23-7-5-17/h2-3,8-9,22H,4-7,10H2,1H3,(H,19,21)
InChIKeyZRNOYGFLVAGRRS-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.95
Rot. Bonds3

About 7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylquinoline-4-carboxamide

7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylquinoline-4-carboxamide (PubChem CID 111486130) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylquinoline-4-carboxamide
PubChem CID111486130
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC2(O)CCOCC2)c2ccc(F)cc2n1
InChIInChI=1S/C17H19FN2O3/c1-11-8-14(13-3-2-12(18)9-15(13)20-11)16(21)19-10-17(22)4-6-23-7-5-17/h2-3,8-9,22H,4-7,10H2,1H3,(H,19,21)
InChIKeyZRNOYGFLVAGRRS-UHFFFAOYSA-N
XLogP1.95
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide
CID 112702691
N-[(1-hydroxycyclobutyl)methyl]-2-methylquinoline-4-carboxamide
CID 115643532
2-bromo-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039867
7-fluoro-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
CID 131917230
5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 111486185
1-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 75402965
2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 113337991
2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-(4-methylphenyl)benzamide
CID 111486212
N-[(3-acetamidophenyl)methyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 39575257
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 46422325
N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide
CID 46409117
7-methoxy-2-methyl-N-[(3-methyloxetan-3-yl)methyl]quinoline-4-carboxamide
CID 119059354

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylquinoline-4-carboxamide (CID 111486130) is 7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NCC2(O)CCOCC2)c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylquinoline-4-carboxamide?
The InChIKey is ZRNOYGFLVAGRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-11-8-14(13-3-2-12(18)9-15(13)20-11)16(21)19-10-17(22)4-6-23-7-5-17/h2-3,8-9,22H,4-7,10H2,1H3,(H,19,21).
What are the key properties of 7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylquinoline-4-carboxamide?
7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylquinoline-4-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 111486130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).