2-fluoro-N-[1-(quinoline-4-carbonyl)azetidin-3-yl]cyclopropane-1-carboxamide

C17H16FN3O2 — CID 167864337

IUPAC2-fluoro-N-[1-(quinoline-4-carbonyl)azetidin-3-yl]cyclopropane-1-carboxamide
SMILESO=C(NC1CN(C(=O)c2ccnc3ccccc23)C1)C1CC1F
InChIInChI=1S/C17H16FN3O2/c18-14-7-13(14)16(22)20-10-8-21(9-10)17(23)12-5-6-19-15-4-2-1-3-11(12)15/h1-6,10,13-14H,7-9H2,(H,20,22)
InChIKeyWJDDHYQDTQICNP-UHFFFAOYSA-N
MW313.33 g/mol
LogP1.53
Rot. Bonds3

About 2-fluoro-N-[1-(quinoline-4-carbonyl)azetidin-3-yl]cyclopropane-1-carboxamide

2-fluoro-N-[1-(quinoline-4-carbonyl)azetidin-3-yl]cyclopropane-1-carboxamide (PubChem CID 167864337) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 2-fluoro-N-[1-(quinoline-4-carbonyl)azetidin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(quinoline-4-carbonyl)azetidin-3-yl]cyclopropane-1-carboxamide
PubChem CID167864337
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name2-fluoro-N-[1-(quinoline-4-carbonyl)azetidin-3-yl]cyclopropane-1-carboxamide
SMILESO=C(NC1CN(C(=O)c2ccnc3ccccc23)C1)C1CC1F
InChIInChI=1S/C17H16FN3O2/c18-14-7-13(14)16(22)20-10-8-21(9-10)17(23)12-5-6-19-15-4-2-1-3-11(12)15/h1-6,10,13-14H,7-9H2,(H,20,22)
InChIKeyWJDDHYQDTQICNP-UHFFFAOYSA-N
XLogP1.53
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-N-cyclopropyl-2-quinolin-4-ylcyclopropane-1-carboxamide
CID 166272446
[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
CID 110694885
[3-methyl-4-(methylamino)piperidin-1-yl]-quinolin-4-ylmethanone
CID 114498251
(3-bromo-4-methylpiperidin-1-yl)-quinolin-4-ylmethanone
CID 102962196
(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-quinolin-4-ylmethanone
CID 154566115
N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 81478788
N-[(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclopentyl]quinoline-4-carboxamide
CID 56883665
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 110107959
N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]quinoline-4-carboxamide
CID 155498681
(3-amino-5-methylpiperidin-1-yl)-quinolin-5-ylmethanone
CID 79992741
ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate
CID 110694883
N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide
CID 81485515

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(quinoline-4-carbonyl)azetidin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-fluoro-N-[1-(quinoline-4-carbonyl)azetidin-3-yl]cyclopropane-1-carboxamide (CID 167864337) is 2-fluoro-N-[1-(quinoline-4-carbonyl)azetidin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-[1-(quinoline-4-carbonyl)azetidin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-fluoro-N-[1-(quinoline-4-carbonyl)azetidin-3-yl]cyclopropane-1-carboxamide is O=C(NC1CN(C(=O)c2ccnc3ccccc23)C1)C1CC1F.
What is the InChIKey of 2-fluoro-N-[1-(quinoline-4-carbonyl)azetidin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is WJDDHYQDTQICNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c18-14-7-13(14)16(22)20-10-8-21(9-10)17(23)12-5-6-19-15-4-2-1-3-11(12)15/h1-6,10,13-14H,7-9H2,(H,20,22).
What are the key properties of 2-fluoro-N-[1-(quinoline-4-carbonyl)azetidin-3-yl]cyclopropane-1-carboxamide?
2-fluoro-N-[1-(quinoline-4-carbonyl)azetidin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(quinoline-4-carbonyl)azetidin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 167864337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).