3-amino-7-(cyclohexylamino)-6-fluoro-1-propan-2-ylquinazoline-2,4-dione

C17H23FN4O2 — CID 59311165

IUPAC3-amino-7-(cyclohexylamino)-6-fluoro-1-propan-2-ylquinazoline-2,4-dione
SMILESCC(C)n1c(=O)n(N)c(=O)c2cc(F)c(NC3CCCCC3)cc21
InChIInChI=1S/C17H23FN4O2/c1-10(2)21-15-9-14(20-11-6-4-3-5-7-11)13(18)8-12(15)16(23)22(19)17(21)24/h8-11,20H,3-7,19H2,1-2H3
InChIKeyLOWJFHZLAAXIEQ-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.34
Rot. Bonds3

About 3-amino-7-(cyclohexylamino)-6-fluoro-1-propan-2-ylquinazoline-2,4-dione

3-amino-7-(cyclohexylamino)-6-fluoro-1-propan-2-ylquinazoline-2,4-dione (PubChem CID 59311165) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-amino-7-(cyclohexylamino)-6-fluoro-1-propan-2-ylquinazoline-2,4-dione.

Molecular Properties

Compound Name3-amino-7-(cyclohexylamino)-6-fluoro-1-propan-2-ylquinazoline-2,4-dione
PubChem CID59311165
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC Name3-amino-7-(cyclohexylamino)-6-fluoro-1-propan-2-ylquinazoline-2,4-dione
SMILESCC(C)n1c(=O)n(N)c(=O)c2cc(F)c(NC3CCCCC3)cc21
InChIInChI=1S/C17H23FN4O2/c1-10(2)21-15-9-14(20-11-6-4-3-5-7-11)13(18)8-12(15)16(23)22(19)17(21)24/h8-11,20H,3-7,19H2,1-2H3
InChIKeyLOWJFHZLAAXIEQ-UHFFFAOYSA-N
XLogP2.34
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-7-(cyclohexylamino)-6-fluoro-1-propan-2-ylquinazoline-2,4-dione?
The IUPAC name of 3-amino-7-(cyclohexylamino)-6-fluoro-1-propan-2-ylquinazoline-2,4-dione (CID 59311165) is 3-amino-7-(cyclohexylamino)-6-fluoro-1-propan-2-ylquinazoline-2,4-dione.
What is the SMILES notation for 3-amino-7-(cyclohexylamino)-6-fluoro-1-propan-2-ylquinazoline-2,4-dione?
The canonical SMILES for 3-amino-7-(cyclohexylamino)-6-fluoro-1-propan-2-ylquinazoline-2,4-dione is CC(C)n1c(=O)n(N)c(=O)c2cc(F)c(NC3CCCCC3)cc21.
What is the InChIKey of 3-amino-7-(cyclohexylamino)-6-fluoro-1-propan-2-ylquinazoline-2,4-dione?
The InChIKey is LOWJFHZLAAXIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-10(2)21-15-9-14(20-11-6-4-3-5-7-11)13(18)8-12(15)16(23)22(19)17(21)24/h8-11,20H,3-7,19H2,1-2H3.
What are the key properties of 3-amino-7-(cyclohexylamino)-6-fluoro-1-propan-2-ylquinazoline-2,4-dione?
3-amino-7-(cyclohexylamino)-6-fluoro-1-propan-2-ylquinazoline-2,4-dione has a molecular weight of 334.40 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-(cyclohexylamino)-6-fluoro-1-propan-2-ylquinazoline-2,4-dione is sourced from PubChem (CID 59311165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).