3-(azepan-3-yl)-6-fluoroquinazolin-4-one

C14H16FN3O — CID 117263920

IUPAC3-(azepan-3-yl)-6-fluoroquinazolin-4-one
SMILESO=c1c2cc(F)ccc2ncn1C1CCCCNC1
InChIInChI=1S/C14H16FN3O/c15-10-4-5-13-12(7-10)14(19)18(9-17-13)11-3-1-2-6-16-8-11/h4-5,7,9,11,16H,1-3,6,8H2
InChIKeyMVQSQRNXXYNZNY-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.85
Rot. Bonds1

About 3-(azepan-3-yl)-6-fluoroquinazolin-4-one

3-(azepan-3-yl)-6-fluoroquinazolin-4-one (PubChem CID 117263920) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-(azepan-3-yl)-6-fluoroquinazolin-4-one.

Molecular Properties

Compound Name3-(azepan-3-yl)-6-fluoroquinazolin-4-one
PubChem CID117263920
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name3-(azepan-3-yl)-6-fluoroquinazolin-4-one
SMILESO=c1c2cc(F)ccc2ncn1C1CCCCNC1
InChIInChI=1S/C14H16FN3O/c15-10-4-5-13-12(7-10)14(19)18(9-17-13)11-3-1-2-6-16-8-11/h4-5,7,9,11,16H,1-3,6,8H2
InChIKeyMVQSQRNXXYNZNY-UHFFFAOYSA-N
XLogP1.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-3-[(3R)-1-methylpiperidin-3-yl]quinazolin-4-one
CID 146947457
3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one
CID 124510058
3-(azetidin-3-yl)-6-methylquinazolin-4-one
CID 117263880
6-amino-3-cyclohexylquinazolin-4-one
CID 162429312
8-bromo-3-piperidin-3-ylquinazolin-4-one
CID 117264605
7-fluoro-3-pyrrolidin-2-ylquinazolin-4-one
CID 117264333
(3R)-3-[4-(4-fluorophenyl)imidazol-1-yl]piperidine
CID 175254745
(3R)-3-(6-fluoro-4-oxoquinazolin-3-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 51720999
3-cyclobutylquinazolin-4-one
CID 171781936
1-(azepan-3-yl)-6-fluoro-2,3-dihydroindole
CID 103503437
6-fluoro-4-piperidin-3-ylquinazoline
CID 105489378
3-pyrrolidin-3-yl-5-(trifluoromethyl)quinazolin-4-one
CID 117263512

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-3-yl)-6-fluoroquinazolin-4-one?
The IUPAC name of 3-(azepan-3-yl)-6-fluoroquinazolin-4-one (CID 117263920) is 3-(azepan-3-yl)-6-fluoroquinazolin-4-one.
What is the SMILES notation for 3-(azepan-3-yl)-6-fluoroquinazolin-4-one?
The canonical SMILES for 3-(azepan-3-yl)-6-fluoroquinazolin-4-one is O=c1c2cc(F)ccc2ncn1C1CCCCNC1.
What is the InChIKey of 3-(azepan-3-yl)-6-fluoroquinazolin-4-one?
The InChIKey is MVQSQRNXXYNZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-10-4-5-13-12(7-10)14(19)18(9-17-13)11-3-1-2-6-16-8-11/h4-5,7,9,11,16H,1-3,6,8H2.
What are the key properties of 3-(azepan-3-yl)-6-fluoroquinazolin-4-one?
3-(azepan-3-yl)-6-fluoroquinazolin-4-one has a molecular weight of 261.30 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-3-yl)-6-fluoroquinazolin-4-one is sourced from PubChem (CID 117263920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).