7-(cyclohexylamino)-1-cyclopentyl-3-(2,3-dihydroxypropyl)-6-fluoroquinazoline-2,4-dione

C22H30FN3O4 — CID 59311193

IUPAC7-(cyclohexylamino)-1-cyclopentyl-3-(2,3-dihydroxypropyl)-6-fluoroquinazoline-2,4-dione
SMILESO=c1c2cc(F)c(NC3CCCCC3)cc2n(C2CCCC2)c(=O)n1CC(O)CO
InChIInChI=1S/C22H30FN3O4/c23-18-10-17-20(11-19(18)24-14-6-2-1-3-7-14)26(15-8-4-5-9-15)22(30)25(21(17)29)12-16(28)13-27/h10-11,14-16,24,27-28H,1-9,12-13H2
InChIKeyGKEBOKVCSXCFBT-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.52
Rot. Bonds6

About 7-(cyclohexylamino)-1-cyclopentyl-3-(2,3-dihydroxypropyl)-6-fluoroquinazoline-2,4-dione

7-(cyclohexylamino)-1-cyclopentyl-3-(2,3-dihydroxypropyl)-6-fluoroquinazoline-2,4-dione (PubChem CID 59311193) has the molecular formula C22H30FN3O4 and a molecular weight of 419.50 g/mol. Its IUPAC name is 7-(cyclohexylamino)-1-cyclopentyl-3-(2,3-dihydroxypropyl)-6-fluoroquinazoline-2,4-dione.

Molecular Properties

Compound Name7-(cyclohexylamino)-1-cyclopentyl-3-(2,3-dihydroxypropyl)-6-fluoroquinazoline-2,4-dione
PubChem CID59311193
Molecular FormulaC22H30FN3O4
Molecular Weight419.50 g/mol
Exact Mass419.22
IUPAC Name7-(cyclohexylamino)-1-cyclopentyl-3-(2,3-dihydroxypropyl)-6-fluoroquinazoline-2,4-dione
SMILESO=c1c2cc(F)c(NC3CCCCC3)cc2n(C2CCCC2)c(=O)n1CC(O)CO
InChIInChI=1S/C22H30FN3O4/c23-18-10-17-20(11-19(18)24-14-6-2-1-3-7-14)26(15-8-4-5-9-15)22(30)25(21(17)29)12-16(28)13-27/h10-11,14-16,24,27-28H,1-9,12-13H2
InChIKeyGKEBOKVCSXCFBT-UHFFFAOYSA-N
XLogP2.52
TPSA96.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-(cyclohexylamino)-1-cyclopentyl-3-(2,3-dihydroxypropyl)-6-fluoroquinazoline-2,4-dione with MolForge

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Related Compounds

7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-(4-hydroxybutyl)quinazoline-2,4-dione
CID 59311303
7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-hydroxyquinazoline-2,4-dione
CID 68590320
N-[2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]ethyl]-3,3,3-trifluoro-2-hydroxypropanamide
CID 59311291
5-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]-3,3-dimethyl-4-oxopentanoic acid
CID 59311163
4-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]-3-phenylmethoxybutanoic acid
CID 59311067
2-[acetyl-[2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]ethyl]amino]acetic acid
CID 59311301
ethyl 4-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]-2-methoxybutanoate
CID 59311209
ethyl 2-[2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]ethylamino]acetate
CID 59311158
2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]oxyacetic acid
CID 25028694
7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-(3-phenylmethoxypropyl)quinazoline-2,4-dione
CID 59311085
2-[2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]ethyl-methylsulfanylcarbothioylamino]acetic acid
CID 59311097
4-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]-N-(oxan-2-yloxy)butanamide
CID 59311151

Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylamino)-1-cyclopentyl-3-(2,3-dihydroxypropyl)-6-fluoroquinazoline-2,4-dione?
The IUPAC name of 7-(cyclohexylamino)-1-cyclopentyl-3-(2,3-dihydroxypropyl)-6-fluoroquinazoline-2,4-dione (CID 59311193) is 7-(cyclohexylamino)-1-cyclopentyl-3-(2,3-dihydroxypropyl)-6-fluoroquinazoline-2,4-dione.
What is the SMILES notation for 7-(cyclohexylamino)-1-cyclopentyl-3-(2,3-dihydroxypropyl)-6-fluoroquinazoline-2,4-dione?
The canonical SMILES for 7-(cyclohexylamino)-1-cyclopentyl-3-(2,3-dihydroxypropyl)-6-fluoroquinazoline-2,4-dione is O=c1c2cc(F)c(NC3CCCCC3)cc2n(C2CCCC2)c(=O)n1CC(O)CO.
What is the InChIKey of 7-(cyclohexylamino)-1-cyclopentyl-3-(2,3-dihydroxypropyl)-6-fluoroquinazoline-2,4-dione?
The InChIKey is GKEBOKVCSXCFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O4/c23-18-10-17-20(11-19(18)24-14-6-2-1-3-7-14)26(15-8-4-5-9-15)22(30)25(21(17)29)12-16(28)13-27/h10-11,14-16,24,27-28H,1-9,12-13H2.
What are the key properties of 7-(cyclohexylamino)-1-cyclopentyl-3-(2,3-dihydroxypropyl)-6-fluoroquinazoline-2,4-dione?
7-(cyclohexylamino)-1-cyclopentyl-3-(2,3-dihydroxypropyl)-6-fluoroquinazoline-2,4-dione has a molecular weight of 419.50 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylamino)-1-cyclopentyl-3-(2,3-dihydroxypropyl)-6-fluoroquinazoline-2,4-dione is sourced from PubChem (CID 59311193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).