3-amino-1-cyclopropyl-6-fluoro-5-methyl-7-pyrrolidin-1-ylquinazoline-2,4-dione

C16H19FN4O2 — CID 173256237

IUPAC3-amino-1-cyclopropyl-6-fluoro-5-methyl-7-pyrrolidin-1-ylquinazoline-2,4-dione
SMILESCc1c(F)c(N2CCCC2)cc2c1c(=O)n(N)c(=O)n2C1CC1
InChIInChI=1S/C16H19FN4O2/c1-9-13-11(8-12(14(9)17)19-6-2-3-7-19)20(10-4-5-10)16(23)21(18)15(13)22/h8,10H,2-7,18H2,1H3
InChIKeyKOSDLFBVVMYJBP-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.26
Rot. Bonds2

About 3-amino-1-cyclopropyl-6-fluoro-5-methyl-7-pyrrolidin-1-ylquinazoline-2,4-dione

3-amino-1-cyclopropyl-6-fluoro-5-methyl-7-pyrrolidin-1-ylquinazoline-2,4-dione (PubChem CID 173256237) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 3-amino-1-cyclopropyl-6-fluoro-5-methyl-7-pyrrolidin-1-ylquinazoline-2,4-dione.

Molecular Properties

Compound Name3-amino-1-cyclopropyl-6-fluoro-5-methyl-7-pyrrolidin-1-ylquinazoline-2,4-dione
PubChem CID173256237
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name3-amino-1-cyclopropyl-6-fluoro-5-methyl-7-pyrrolidin-1-ylquinazoline-2,4-dione
SMILESCc1c(F)c(N2CCCC2)cc2c1c(=O)n(N)c(=O)n2C1CC1
InChIInChI=1S/C16H19FN4O2/c1-9-13-11(8-12(14(9)17)19-6-2-3-7-19)20(10-4-5-10)16(23)21(18)15(13)22/h8,10H,2-7,18H2,1H3
InChIKeyKOSDLFBVVMYJBP-UHFFFAOYSA-N
XLogP1.26
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-5-methylquinazoline-2,4-dione;hydrochloride
CID 21041098
3-amino-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione
CID 142672061
1-(3-amino-1-cyclopropyl-6-fluoro-8-methyl-2,4-dioxoquinazolin-7-yl)pyrrolidine-3-carboxylic acid
CID 10140407
[1-cyclopropyl-6-fluoro-5-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] hydrogen carbonate
CID 67758773
3-amino-7-[(5S)-5-amino-3,3-diethylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione
CID 10024124
acetonitrile;3-amino-1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-8-methylquinazoline-2,4-dione
CID 143050424
3-amino-7-[1-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione
CID 10155370
3-[[1-(3-amino-1-cyclopropyl-6-fluoro-8-methyl-2,4-dioxoquinazolin-7-yl)-3-methylpyrrolidin-3-yl]methyl-methylamino]propanenitrile
CID 69450206
3-amino-7-[3-[(1R)-1-amino-2-phenoxyethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione
CID 69075195
7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-1-cyclopropyl-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
CID 139636874
tert-butyl N-[(1R)-1-[1-(3-amino-1-cyclopropyl-6-fluoro-8-methyl-2,4-dioxoquinazolin-7-yl)pyrrolidin-3-yl]ethyl]carbamate
CID 69074390
3-amino-7-[(3R)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinazoline-2,4-dione
CID 10199584

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopropyl-6-fluoro-5-methyl-7-pyrrolidin-1-ylquinazoline-2,4-dione?
The IUPAC name of 3-amino-1-cyclopropyl-6-fluoro-5-methyl-7-pyrrolidin-1-ylquinazoline-2,4-dione (CID 173256237) is 3-amino-1-cyclopropyl-6-fluoro-5-methyl-7-pyrrolidin-1-ylquinazoline-2,4-dione.
What is the SMILES notation for 3-amino-1-cyclopropyl-6-fluoro-5-methyl-7-pyrrolidin-1-ylquinazoline-2,4-dione?
The canonical SMILES for 3-amino-1-cyclopropyl-6-fluoro-5-methyl-7-pyrrolidin-1-ylquinazoline-2,4-dione is Cc1c(F)c(N2CCCC2)cc2c1c(=O)n(N)c(=O)n2C1CC1.
What is the InChIKey of 3-amino-1-cyclopropyl-6-fluoro-5-methyl-7-pyrrolidin-1-ylquinazoline-2,4-dione?
The InChIKey is KOSDLFBVVMYJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-9-13-11(8-12(14(9)17)19-6-2-3-7-19)20(10-4-5-10)16(23)21(18)15(13)22/h8,10H,2-7,18H2,1H3.
What are the key properties of 3-amino-1-cyclopropyl-6-fluoro-5-methyl-7-pyrrolidin-1-ylquinazoline-2,4-dione?
3-amino-1-cyclopropyl-6-fluoro-5-methyl-7-pyrrolidin-1-ylquinazoline-2,4-dione has a molecular weight of 318.35 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclopropyl-6-fluoro-5-methyl-7-pyrrolidin-1-ylquinazoline-2,4-dione is sourced from PubChem (CID 173256237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).