[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]carbamic acid

C18H23FN4O4 — CID 68588182

IUPAC[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]carbamic acid
SMILESCC(C)n1c(=O)n(NC(=O)O)c(=O)c2cc(F)c(NC3CCCCC3)cc21
InChIInChI=1S/C18H23FN4O4/c1-10(2)22-15-9-14(20-11-6-4-3-5-7-11)13(19)8-12(15)16(24)23(18(22)27)21-17(25)26/h8-11,20-21H,3-7H2,1-2H3,(H,25,26)
InChIKeyVOBNSZBMCXXPAV-UHFFFAOYSA-N
MW378.40 g/mol
LogP2.85
Rot. Bonds4

About [7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]carbamic acid

[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]carbamic acid (PubChem CID 68588182) has the molecular formula C18H23FN4O4 and a molecular weight of 378.40 g/mol. Its IUPAC name is [7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]carbamic acid.

Molecular Properties

Compound Name[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]carbamic acid
PubChem CID68588182
Molecular FormulaC18H23FN4O4
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]carbamic acid
SMILESCC(C)n1c(=O)n(NC(=O)O)c(=O)c2cc(F)c(NC3CCCCC3)cc21
InChIInChI=1S/C18H23FN4O4/c1-10(2)22-15-9-14(20-11-6-4-3-5-7-11)13(19)8-12(15)16(24)23(18(22)27)21-17(25)26/h8-11,20-21H,3-7H2,1-2H3,(H,25,26)
InChIKeyVOBNSZBMCXXPAV-UHFFFAOYSA-N
XLogP2.85
TPSA105.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]acetic acid
CID 59311327
3-amino-7-(cyclohexylamino)-6-fluoro-1-propan-2-ylquinazoline-2,4-dione
CID 59311165
(E)-4-[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]but-2-enoic acid
CID 59311010
ethyl 4-[[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]amino]but-2-enoate
CID 91029545
4-[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]oxybutanoic acid
CID 59311084
methyl 4-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]amino]pentanoate
CID 59311088
7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-hydroxyquinazoline-2,4-dione
CID 68590320
2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]oxyacetic acid
CID 25028694
7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-(4-hydroxybutyl)quinazoline-2,4-dione
CID 59311303
7-(cyclohexylamino)-1-cyclopentyl-3-(2,3-dihydroxypropyl)-6-fluoroquinazoline-2,4-dione
CID 59311193
5-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]-3,3-dimethyl-4-oxopentanoic acid
CID 59311163
[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)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]carbamic acid?
The IUPAC name of [7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]carbamic acid (CID 68588182) is [7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]carbamic acid.
What is the SMILES notation for [7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]carbamic acid?
The canonical SMILES for [7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]carbamic acid is CC(C)n1c(=O)n(NC(=O)O)c(=O)c2cc(F)c(NC3CCCCC3)cc21.
What is the InChIKey of [7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]carbamic acid?
The InChIKey is VOBNSZBMCXXPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O4/c1-10(2)22-15-9-14(20-11-6-4-3-5-7-11)13(19)8-12(15)16(24)23(18(22)27)21-17(25)26/h8-11,20-21H,3-7H2,1-2H3,(H,25,26).
What are the key properties of [7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]carbamic acid?
[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]carbamic acid has a molecular weight of 378.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]carbamic acid is sourced from PubChem (CID 68588182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).