6-fluoro-3-[(3S)-oxan-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one

C18H17FN4O2 — CID 162498463

IUPAC6-fluoro-3-[(3S)-oxan-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one
SMILESO=c1c2cc(F)ccc2nc(Nc2cccnc2)n1[C@H]1CCCOC1
InChIInChI=1S/C18H17FN4O2/c19-12-5-6-16-15(9-12)17(24)23(14-4-2-8-25-11-14)18(22-16)21-13-3-1-7-20-10-13/h1,3,5-7,9-10,14H,2,4,8,11H2,(H,21,22)/t14-/m0/s1
InChIKeyGXGPWZGMMMATIA-AWEZNQCLSA-N
MW340.36 g/mol
LogP3.03
Rot. Bonds3

About 6-fluoro-3-[(3S)-oxan-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one

6-fluoro-3-[(3S)-oxan-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one (PubChem CID 162498463) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 6-fluoro-3-[(3S)-oxan-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-[(3S)-oxan-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one
PubChem CID162498463
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name6-fluoro-3-[(3S)-oxan-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one
SMILESO=c1c2cc(F)ccc2nc(Nc2cccnc2)n1[C@H]1CCCOC1
InChIInChI=1S/C18H17FN4O2/c19-12-5-6-16-15(9-12)17(24)23(14-4-2-8-25-11-14)18(22-16)21-13-3-1-7-20-10-13/h1,3,5-7,9-10,14H,2,4,8,11H2,(H,21,22)/t14-/m0/s1
InChIKeyGXGPWZGMMMATIA-AWEZNQCLSA-N
XLogP3.03
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-3-[(3S)-oxan-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one with MolForge

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Related Compounds

6-fluoro-3-[(3S)-1-methylpyrrolidin-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498374
3-(3-chlorophenyl)-6-fluoro-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498515
6-fluoro-3-(5-methoxy-3-pyridinyl)-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498509
3-(4,4-difluorocyclohexyl)-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498478
3-(2-fluorophenyl)-4-oxo-2-(pyridin-3-ylamino)quinazoline-6-carbonitrile
CID 166807393
6-fluoro-2-methyl-3-pyridin-3-ylquinazolin-4-one
CID 134445912
6-fluoro-3-(oxetan-3-yl)-2-(pyridin-3-ylamino)-4H-quinazolin-4-ol
CID 166807472
2-(1-chloroethyl)-3-(oxan-3-yl)quinazolin-4-one
CID 63361358
6-fluoro-2-[(3-methoxy-4-pyridinyl)amino]-3-phenylquinazolin-4-one
CID 162498372
N-(oxolan-3-yl)pyridin-3-amine
CID 63331715
6-fluoro-2-[(E)-2-(5-nitrosofuran-2-yl)ethenyl]-N-pyridin-3-ylquinazolin-4-amine
CID 89266547
6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine
CID 79144359

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(3S)-oxan-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one?
The IUPAC name of 6-fluoro-3-[(3S)-oxan-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one (CID 162498463) is 6-fluoro-3-[(3S)-oxan-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one.
What is the SMILES notation for 6-fluoro-3-[(3S)-oxan-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one?
The canonical SMILES for 6-fluoro-3-[(3S)-oxan-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one is O=c1c2cc(F)ccc2nc(Nc2cccnc2)n1[C@H]1CCCOC1.
What is the InChIKey of 6-fluoro-3-[(3S)-oxan-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one?
The InChIKey is GXGPWZGMMMATIA-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-12-5-6-16-15(9-12)17(24)23(14-4-2-8-25-11-14)18(22-16)21-13-3-1-7-20-10-13/h1,3,5-7,9-10,14H,2,4,8,11H2,(H,21,22)/t14-/m0/s1.
What are the key properties of 6-fluoro-3-[(3S)-oxan-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one?
6-fluoro-3-[(3S)-oxan-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one has a molecular weight of 340.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(3S)-oxan-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one is sourced from PubChem (CID 162498463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).