4-(aminomethyl)-1-cyclopropyl-7-(2,7-diazaspiro[3.5]nonan-2-yl)-6-fluoro-8-methylquinolin-2-one

C21H27FN4O — CID 130276543

IUPAC4-(aminomethyl)-1-cyclopropyl-7-(2,7-diazaspiro[3.5]nonan-2-yl)-6-fluoro-8-methylquinolin-2-one
SMILESCc1c(N2CC3(CCNCC3)C2)c(F)cc2c(CN)cc(=O)n(C3CC3)c12
InChIInChI=1S/C21H27FN4O/c1-13-19-16(14(10-23)8-18(27)26(19)15-2-3-15)9-17(22)20(13)25-11-21(12-25)4-6-24-7-5-21/h8-9,15,24H,2-7,10-12,23H2,1H3
InChIKeyZHLLCMPHGNZNRR-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.43
Rot. Bonds3

About 4-(aminomethyl)-1-cyclopropyl-7-(2,7-diazaspiro[3.5]nonan-2-yl)-6-fluoro-8-methylquinolin-2-one

4-(aminomethyl)-1-cyclopropyl-7-(2,7-diazaspiro[3.5]nonan-2-yl)-6-fluoro-8-methylquinolin-2-one (PubChem CID 130276543) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-(aminomethyl)-1-cyclopropyl-7-(2,7-diazaspiro[3.5]nonan-2-yl)-6-fluoro-8-methylquinolin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-cyclopropyl-7-(2,7-diazaspiro[3.5]nonan-2-yl)-6-fluoro-8-methylquinolin-2-one
PubChem CID130276543
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC Name4-(aminomethyl)-1-cyclopropyl-7-(2,7-diazaspiro[3.5]nonan-2-yl)-6-fluoro-8-methylquinolin-2-one
SMILESCc1c(N2CC3(CCNCC3)C2)c(F)cc2c(CN)cc(=O)n(C3CC3)c12
InChIInChI=1S/C21H27FN4O/c1-13-19-16(14(10-23)8-18(27)26(19)15-2-3-15)9-17(22)20(13)25-11-21(12-25)4-6-24-7-5-21/h8-9,15,24H,2-7,10-12,23H2,1H3
InChIKeyZHLLCMPHGNZNRR-UHFFFAOYSA-N
XLogP2.43
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(aminomethyl)-1-cyclopropyl-7-(2,7-diazaspiro[3.5]nonan-2-yl)-6-fluoro-8-methylquinolin-2-one with MolForge

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Related Compounds

[1-[1-cyclopropyl-4-[(dimethylamino)methyl]-6-fluoro-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]methyl carbamate
CID 130275905
(2S)-10-(aminomethyl)-6-[3-(aminomethyl)-3-fluoropyrrolidin-1-yl]-7-fluoro-2-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraen-12-one
CID 135369632
N-[[1-[4-[(2-aminoethylamino)methyl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 130292787
7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione
CID 10023582
4-(aminomethyl)-1-cyclopropyl-5,6-difluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-8-methylquinolin-2-one
CID 130276525
3-amino-7-[1-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione
CID 10155370
[1-(1-cyclopropyl-6-fluoro-4-hydroxy-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methylcarbamic acid
CID 118864704
7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-(2H-tetrazol-5-yl)quinolin-2-one
CID 130274796
3-amino-7-[(5S)-5-amino-3,3-diethylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione
CID 10024124
3-[[1-(3-amino-1-cyclopropyl-6-fluoro-8-methyl-2,4-dioxoquinazolin-7-yl)-3-methylpyrrolidin-3-yl]methyl-methylamino]propanenitrile
CID 69450206
7-[3-[amino(cyclopropyl)methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione;hydrochloride
CID 10431617
N-[2-[7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-4-yl]oxyethyl]methanesulfonamide
CID 130276682

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-cyclopropyl-7-(2,7-diazaspiro[3.5]nonan-2-yl)-6-fluoro-8-methylquinolin-2-one?
The IUPAC name of 4-(aminomethyl)-1-cyclopropyl-7-(2,7-diazaspiro[3.5]nonan-2-yl)-6-fluoro-8-methylquinolin-2-one (CID 130276543) is 4-(aminomethyl)-1-cyclopropyl-7-(2,7-diazaspiro[3.5]nonan-2-yl)-6-fluoro-8-methylquinolin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-cyclopropyl-7-(2,7-diazaspiro[3.5]nonan-2-yl)-6-fluoro-8-methylquinolin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-cyclopropyl-7-(2,7-diazaspiro[3.5]nonan-2-yl)-6-fluoro-8-methylquinolin-2-one is Cc1c(N2CC3(CCNCC3)C2)c(F)cc2c(CN)cc(=O)n(C3CC3)c12.
What is the InChIKey of 4-(aminomethyl)-1-cyclopropyl-7-(2,7-diazaspiro[3.5]nonan-2-yl)-6-fluoro-8-methylquinolin-2-one?
The InChIKey is ZHLLCMPHGNZNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c1-13-19-16(14(10-23)8-18(27)26(19)15-2-3-15)9-17(22)20(13)25-11-21(12-25)4-6-24-7-5-21/h8-9,15,24H,2-7,10-12,23H2,1H3.
What are the key properties of 4-(aminomethyl)-1-cyclopropyl-7-(2,7-diazaspiro[3.5]nonan-2-yl)-6-fluoro-8-methylquinolin-2-one?
4-(aminomethyl)-1-cyclopropyl-7-(2,7-diazaspiro[3.5]nonan-2-yl)-6-fluoro-8-methylquinolin-2-one has a molecular weight of 370.47 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-cyclopropyl-7-(2,7-diazaspiro[3.5]nonan-2-yl)-6-fluoro-8-methylquinolin-2-one is sourced from PubChem (CID 130276543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).