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

C19H24FN3O4 — CID 59311327

IUPAC2-[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]acetic acid
SMILESCC(C)n1c(=O)n(CC(=O)O)c(=O)c2cc(F)c(NC3CCCCC3)cc21
InChIInChI=1S/C19H24FN3O4/c1-11(2)23-16-9-15(21-12-6-4-3-5-7-12)14(20)8-13(16)18(26)22(19(23)27)10-17(24)25/h8-9,11-12,21H,3-7,10H2,1-2H3,(H,24,25)
InChIKeyLECVIJHXLCWJCG-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.71
Rot. Bonds5

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

2-[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]acetic acid (PubChem CID 59311327) has the molecular formula C19H24FN3O4 and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]acetic acid
PubChem CID59311327
Molecular FormulaC19H24FN3O4
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC Name2-[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]acetic acid
SMILESCC(C)n1c(=O)n(CC(=O)O)c(=O)c2cc(F)c(NC3CCCCC3)cc21
InChIInChI=1S/C19H24FN3O4/c1-11(2)23-16-9-15(21-12-6-4-3-5-7-12)14(20)8-13(16)18(26)22(19(23)27)10-17(24)25/h8-9,11-12,21H,3-7,10H2,1-2H3,(H,24,25)
InChIKeyLECVIJHXLCWJCG-UHFFFAOYSA-N
XLogP2.71
TPSA93.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

(E)-4-[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]but-2-enoic acid
CID 59311010
[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]carbamic acid
CID 68588182
4-[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]oxybutanoic acid
CID 59311084
3-amino-7-(cyclohexylamino)-6-fluoro-1-propan-2-ylquinazoline-2,4-dione
CID 59311165
5-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]-3,3-dimethyl-4-oxopentanoic acid
CID 59311163
ethyl 4-[[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]amino]but-2-enoate
CID 91029545
7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-(4-hydroxybutyl)quinazoline-2,4-dione
CID 59311303
2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]oxyacetic acid
CID 25028694
2-[acetyl-[2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]ethyl]amino]acetic acid
CID 59311301
7-(cyclohexylamino)-1-cyclopentyl-3-(2,3-dihydroxypropyl)-6-fluoroquinazoline-2,4-dione
CID 59311193
[1-[[3-(cyclopropylmethyl)-7-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]piperidin-3-yl]carbamic acid
CID 130221600
N-[2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-2,4-dioxoquinazolin-3-yl]ethyl]-3,3,3-trifluoro-2-hydroxypropanamide
CID 59311291

Frequently Asked Questions

What is the IUPAC name of 2-[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]acetic acid?
The IUPAC name of 2-[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]acetic acid (CID 59311327) is 2-[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]acetic acid.
What is the SMILES notation for 2-[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]acetic acid?
The canonical SMILES for 2-[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]acetic acid is CC(C)n1c(=O)n(CC(=O)O)c(=O)c2cc(F)c(NC3CCCCC3)cc21.
What is the InChIKey of 2-[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]acetic acid?
The InChIKey is LECVIJHXLCWJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O4/c1-11(2)23-16-9-15(21-12-6-4-3-5-7-12)14(20)8-13(16)18(26)22(19(23)27)10-17(24)25/h8-9,11-12,21H,3-7,10H2,1-2H3,(H,24,25).
What are the key properties of 2-[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]acetic acid?
2-[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]acetic acid has a molecular weight of 377.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(cyclohexylamino)-6-fluoro-2,4-dioxo-1-propan-2-ylquinazolin-3-yl]acetic acid is sourced from PubChem (CID 59311327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).