7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-(4-hydroxybutyl)quinazoline-2,4-dione

C23H32FN3O3 — CID 59311303

IUPAC7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-(4-hydroxybutyl)quinazoline-2,4-dione
SMILESO=c1c2cc(F)c(NC3CCCCC3)cc2n(C2CCCC2)c(=O)n1CCCCO
InChIInChI=1S/C23H32FN3O3/c24-19-14-18-21(15-20(19)25-16-8-2-1-3-9-16)27(17-10-4-5-11-17)23(30)26(22(18)29)12-6-7-13-28/h14-17,25,28H,1-13H2
InChIKeyDMMDOTTXSUJHIT-UHFFFAOYSA-N
MW417.53 g/mol
LogP3.93
Rot. Bonds7

About 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-(4-hydroxybutyl)quinazoline-2,4-dione

7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-(4-hydroxybutyl)quinazoline-2,4-dione (PubChem CID 59311303) has the molecular formula C23H32FN3O3 and a molecular weight of 417.53 g/mol. Its IUPAC name is 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-(4-hydroxybutyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-(4-hydroxybutyl)quinazoline-2,4-dione
PubChem CID59311303
Molecular FormulaC23H32FN3O3
Molecular Weight417.53 g/mol
Exact Mass417.24
IUPAC Name7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-(4-hydroxybutyl)quinazoline-2,4-dione
SMILESO=c1c2cc(F)c(NC3CCCCC3)cc2n(C2CCCC2)c(=O)n1CCCCO
InChIInChI=1S/C23H32FN3O3/c24-19-14-18-21(15-20(19)25-16-8-2-1-3-9-16)27(17-10-4-5-11-17)23(30)26(22(18)29)12-6-7-13-28/h14-17,25,28H,1-13H2
InChIKeyDMMDOTTXSUJHIT-UHFFFAOYSA-N
XLogP3.93
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-(4-hydroxybutyl)quinazoline-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

7-(cyclohexylamino)-1-cyclopentyl-3-(2,3-dihydroxypropyl)-6-fluoroquinazoline-2,4-dione
CID 59311193
2-[acetyl-[2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]ethyl]amino]acetic acid
CID 59311301
N-[2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]ethyl]-3,3,3-trifluoro-2-hydroxypropanamide
CID 59311291
4-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]-N-(oxan-2-yloxy)butanamide
CID 59311151
7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-hydroxyquinazoline-2,4-dione
CID 68590320
7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-(3-phenylmethoxypropyl)quinazoline-2,4-dione
CID 59311085
5-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]-3,3-dimethyl-4-oxopentanoic acid
CID 59311163
ethyl 2-[2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]ethylamino]acetate
CID 59311158
ethyl 4-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]-2-methoxybutanoate
CID 59311209
2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]oxyacetic acid
CID 25028694
2-[2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]ethyl-methylsulfanylcarbothioylamino]acetic acid
CID 59311097
[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl] 3,3-dimethylbutaneperoxoate
CID 91115110

Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-(4-hydroxybutyl)quinazoline-2,4-dione?
The IUPAC name of 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-(4-hydroxybutyl)quinazoline-2,4-dione (CID 59311303) is 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-(4-hydroxybutyl)quinazoline-2,4-dione.
What is the SMILES notation for 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-(4-hydroxybutyl)quinazoline-2,4-dione?
The canonical SMILES for 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-(4-hydroxybutyl)quinazoline-2,4-dione is O=c1c2cc(F)c(NC3CCCCC3)cc2n(C2CCCC2)c(=O)n1CCCCO.
What is the InChIKey of 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-(4-hydroxybutyl)quinazoline-2,4-dione?
The InChIKey is DMMDOTTXSUJHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O3/c24-19-14-18-21(15-20(19)25-16-8-2-1-3-9-16)27(17-10-4-5-11-17)23(30)26(22(18)29)12-6-7-13-28/h14-17,25,28H,1-13H2.
What are the key properties of 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-(4-hydroxybutyl)quinazoline-2,4-dione?
7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-(4-hydroxybutyl)quinazoline-2,4-dione has a molecular weight of 417.53 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-(4-hydroxybutyl)quinazoline-2,4-dione is sourced from PubChem (CID 59311303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).