5-amino-1-cyclopropyl-6,8-difluoroquinolin-2-one

C12H10F2N2O — CID 67938788

IUPAC5-amino-1-cyclopropyl-6,8-difluoroquinolin-2-one
SMILESNc1c(F)cc(F)c2c1ccc(=O)n2C1CC1
InChIInChI=1S/C12H10F2N2O/c13-8-5-9(14)12-7(11(8)15)3-4-10(17)16(12)6-1-2-6/h3-6H,1-2,15H2
InChIKeyLEUJRUNDNHGOOJ-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.20
Rot. Bonds1

About 5-amino-1-cyclopropyl-6,8-difluoroquinolin-2-one

5-amino-1-cyclopropyl-6,8-difluoroquinolin-2-one (PubChem CID 67938788) has the molecular formula C12H10F2N2O and a molecular weight of 236.22 g/mol. Its IUPAC name is 5-amino-1-cyclopropyl-6,8-difluoroquinolin-2-one.

Molecular Properties

Compound Name5-amino-1-cyclopropyl-6,8-difluoroquinolin-2-one
PubChem CID67938788
Molecular FormulaC12H10F2N2O
Molecular Weight236.22 g/mol
Exact Mass236.08
IUPAC Name5-amino-1-cyclopropyl-6,8-difluoroquinolin-2-one
SMILESNc1c(F)cc(F)c2c1ccc(=O)n2C1CC1
InChIInChI=1S/C12H10F2N2O/c13-8-5-9(14)12-7(11(8)15)3-4-10(17)16(12)6-1-2-6/h3-6H,1-2,15H2
InChIKeyLEUJRUNDNHGOOJ-UHFFFAOYSA-N
XLogP2.20
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-(4-amino-3,5-difluorophenyl)-5-cyclopropyl-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 126717286
3-amino-7-(4-amino-2,5-difluorophenyl)-1-cyclopropyl-4-methoxy-8-methylquinolin-2-one
CID 123192474
1-cyclopropyl-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82244422
7-[3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one
CID 130274886
(7-amino-1-cyclopropyl-6,8-difluoro-4-oxoquinolin-3-yl) hydrogen carbonate
CID 70448131
2-amino-8-(4-hydroxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59258864
2-(1-cyclopropyl-8-fluoro-4-oxoquinolin-2-yl)acetic acid
CID 82246114
5-amino-1-cyclohexyl-6-methylpyridin-2-one
CID 165473593
8-fluoro-1-pyrrolidin-3-ylquinolin-2-one
CID 54248728
2-amino-8-cyclohexyl-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 70304240
2-amino-8-(4-methoxycyclohexyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59258910
3-amino-1-cyclopropyl-6-fluoro-4-(hydroxymethyl)-7-(4-hydroxyphenyl)quinolin-2-one
CID 86300289

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopropyl-6,8-difluoroquinolin-2-one?
The IUPAC name of 5-amino-1-cyclopropyl-6,8-difluoroquinolin-2-one (CID 67938788) is 5-amino-1-cyclopropyl-6,8-difluoroquinolin-2-one.
What is the SMILES notation for 5-amino-1-cyclopropyl-6,8-difluoroquinolin-2-one?
The canonical SMILES for 5-amino-1-cyclopropyl-6,8-difluoroquinolin-2-one is Nc1c(F)cc(F)c2c1ccc(=O)n2C1CC1.
What is the InChIKey of 5-amino-1-cyclopropyl-6,8-difluoroquinolin-2-one?
The InChIKey is LEUJRUNDNHGOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O/c13-8-5-9(14)12-7(11(8)15)3-4-10(17)16(12)6-1-2-6/h3-6H,1-2,15H2.
What are the key properties of 5-amino-1-cyclopropyl-6,8-difluoroquinolin-2-one?
5-amino-1-cyclopropyl-6,8-difluoroquinolin-2-one has a molecular weight of 236.22 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclopropyl-6,8-difluoroquinolin-2-one is sourced from PubChem (CID 67938788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).