3-[(6-fluoroquinolin-4-yl)amino]-2-azaspiro[3.4]octane-2-carboxamide

C17H19FN4O — CID 171472450

IUPAC3-[(6-fluoroquinolin-4-yl)amino]-2-azaspiro[3.4]octane-2-carboxamide
SMILESNC(=O)N1CC2(CCCC2)C1Nc1ccnc2ccc(F)cc12
InChIInChI=1S/C17H19FN4O/c18-11-3-4-13-12(9-11)14(5-8-20-13)21-15-17(6-1-2-7-17)10-22(15)16(19)23/h3-5,8-9,15H,1-2,6-7,10H2,(H2,19,23)(H,20,21)
InChIKeyHXYAYDJCDFMTMT-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.07
Rot. Bonds2

About 3-[(6-fluoroquinolin-4-yl)amino]-2-azaspiro[3.4]octane-2-carboxamide

3-[(6-fluoroquinolin-4-yl)amino]-2-azaspiro[3.4]octane-2-carboxamide (PubChem CID 171472450) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 3-[(6-fluoroquinolin-4-yl)amino]-2-azaspiro[3.4]octane-2-carboxamide.

Molecular Properties

Compound Name3-[(6-fluoroquinolin-4-yl)amino]-2-azaspiro[3.4]octane-2-carboxamide
PubChem CID171472450
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name3-[(6-fluoroquinolin-4-yl)amino]-2-azaspiro[3.4]octane-2-carboxamide
SMILESNC(=O)N1CC2(CCCC2)C1Nc1ccnc2ccc(F)cc12
InChIInChI=1S/C17H19FN4O/c18-11-3-4-13-12(9-11)14(5-8-20-13)21-15-17(6-1-2-7-17)10-22(15)16(19)23/h3-5,8-9,15H,1-2,6-7,10H2,(H2,19,23)(H,20,21)
InChIKeyHXYAYDJCDFMTMT-UHFFFAOYSA-N
XLogP3.07
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[(6-fluoroquinolin-4-yl)amino]-2-azaspiro[3.4]octane-2-carboxylate
CID 172782137
6-fluoro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine
CID 68720572
6-fluoro-N-piperidin-4-ylquinolin-4-amine
CID 68720863
2-[5-[(6-fluoroquinolin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propanoic acid
CID 152583849
tert-butyl 3-[(6-fluoroquinolin-4-yl)amino]pyrrolidine-1-carboxylate
CID 175301027
ethyl 1-(6-fluoroquinolin-4-yl)cyclohexane-1-carboxylate
CID 142597322
N-(4-fluorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide
CID 155221367
1-[8-fluoro-5-[(6-methylquinolin-4-yl)amino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone
CID 133476083
N-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine
CID 39850789
1-[2-[(6-fluoroquinolin-4-yl)amino]phenyl]ethanone
CID 39850737
4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexan-1-one
CID 155221485
N-[3-(1-bicyclo[1.1.1]pentanylamino)phenyl]-4-[(6-fluoroquinolin-4-yl)amino]benzamide
CID 157043545

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoroquinolin-4-yl)amino]-2-azaspiro[3.4]octane-2-carboxamide?
The IUPAC name of 3-[(6-fluoroquinolin-4-yl)amino]-2-azaspiro[3.4]octane-2-carboxamide (CID 171472450) is 3-[(6-fluoroquinolin-4-yl)amino]-2-azaspiro[3.4]octane-2-carboxamide.
What is the SMILES notation for 3-[(6-fluoroquinolin-4-yl)amino]-2-azaspiro[3.4]octane-2-carboxamide?
The canonical SMILES for 3-[(6-fluoroquinolin-4-yl)amino]-2-azaspiro[3.4]octane-2-carboxamide is NC(=O)N1CC2(CCCC2)C1Nc1ccnc2ccc(F)cc12.
What is the InChIKey of 3-[(6-fluoroquinolin-4-yl)amino]-2-azaspiro[3.4]octane-2-carboxamide?
The InChIKey is HXYAYDJCDFMTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c18-11-3-4-13-12(9-11)14(5-8-20-13)21-15-17(6-1-2-7-17)10-22(15)16(19)23/h3-5,8-9,15H,1-2,6-7,10H2,(H2,19,23)(H,20,21).
What are the key properties of 3-[(6-fluoroquinolin-4-yl)amino]-2-azaspiro[3.4]octane-2-carboxamide?
3-[(6-fluoroquinolin-4-yl)amino]-2-azaspiro[3.4]octane-2-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoroquinolin-4-yl)amino]-2-azaspiro[3.4]octane-2-carboxamide is sourced from PubChem (CID 171472450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).