6-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)quinoline-3-carboxamide

C16H16FN3O3 — CID 146126137

IUPAC6-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)quinoline-3-carboxamide
SMILESO=C(NCC(=O)N1CCOCC1)c1cnc2ccc(F)cc2c1
InChIInChI=1S/C16H16FN3O3/c17-13-1-2-14-11(8-13)7-12(9-18-14)16(22)19-10-15(21)20-3-5-23-6-4-20/h1-2,7-9H,3-6,10H2,(H,19,22)
InChIKeyXXHAQKOUZSDXBB-UHFFFAOYSA-N
MW317.32 g/mol
LogP0.96
Rot. Bonds3

About 6-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)quinoline-3-carboxamide

6-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)quinoline-3-carboxamide (PubChem CID 146126137) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is 6-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)quinoline-3-carboxamide
PubChem CID146126137
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name6-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)quinoline-3-carboxamide
SMILESO=C(NCC(=O)N1CCOCC1)c1cnc2ccc(F)cc2c1
InChIInChI=1S/C16H16FN3O3/c17-13-1-2-14-11(8-13)7-12(9-18-14)16(22)19-10-15(21)20-3-5-23-6-4-20/h1-2,7-9H,3-6,10H2,(H,19,22)
InChIKeyXXHAQKOUZSDXBB-UHFFFAOYSA-N
XLogP0.96
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-fluoroquinoline-3-carbonyl)amino]acetic acid
CID 110489772
6-fluoro-N-(oxan-4-yl)quinoline-3-carboxamide
CID 166186547
6-fluoroquinoline-3-carbohydrazide
CID 119026646
3-iodo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 113352781
ethane;4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide;2-methylsulfanylethanol
CID 145138996
2-(2,4-difluoroanilino)-1-morpholin-4-ylethanone
CID 28582837
ethane;4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide;2-methylsulfanylethanamine
CID 145139009
(2-morpholin-4-yl-2-oxoethyl) 2-[(3-fluorobenzoyl)amino]acetate
CID 2548453
4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300
6-fluoro-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]quinoline-3-carboxamide
CID 164633773
(6-fluoroquinolin-3-yl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 166186679
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)quinoline-3-carboxamide (CID 146126137) is 6-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)quinoline-3-carboxamide is O=C(NCC(=O)N1CCOCC1)c1cnc2ccc(F)cc2c1.
What is the InChIKey of 6-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)quinoline-3-carboxamide?
The InChIKey is XXHAQKOUZSDXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c17-13-1-2-14-11(8-13)7-12(9-18-14)16(22)19-10-15(21)20-3-5-23-6-4-20/h1-2,7-9H,3-6,10H2,(H,19,22).
What are the key properties of 6-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)quinoline-3-carboxamide?
6-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)quinoline-3-carboxamide has a molecular weight of 317.32 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)quinoline-3-carboxamide is sourced from PubChem (CID 146126137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).