6-fluoro-3-(oxetan-3-yl)-2-(pyridin-3-ylamino)-4H-quinazolin-4-ol

C16H15FN4O2 — CID 166807472

IUPAC6-fluoro-3-(oxetan-3-yl)-2-(pyridin-3-ylamino)-4H-quinazolin-4-ol
SMILESOC1c2cc(F)ccc2N=C(Nc2cccnc2)N1C1COC1
InChIInChI=1S/C16H15FN4O2/c17-10-3-4-14-13(6-10)15(22)21(12-8-23-9-12)16(20-14)19-11-2-1-5-18-7-11/h1-7,12,15,22H,8-9H2,(H,19,20)
InChIKeyZGJMIDCXICVAQH-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.03
Rot. Bonds2

About 6-fluoro-3-(oxetan-3-yl)-2-(pyridin-3-ylamino)-4H-quinazolin-4-ol

6-fluoro-3-(oxetan-3-yl)-2-(pyridin-3-ylamino)-4H-quinazolin-4-ol (PubChem CID 166807472) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 6-fluoro-3-(oxetan-3-yl)-2-(pyridin-3-ylamino)-4H-quinazolin-4-ol.

Molecular Properties

Compound Name6-fluoro-3-(oxetan-3-yl)-2-(pyridin-3-ylamino)-4H-quinazolin-4-ol
PubChem CID166807472
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name6-fluoro-3-(oxetan-3-yl)-2-(pyridin-3-ylamino)-4H-quinazolin-4-ol
SMILESOC1c2cc(F)ccc2N=C(Nc2cccnc2)N1C1COC1
InChIInChI=1S/C16H15FN4O2/c17-10-3-4-14-13(6-10)15(22)21(12-8-23-9-12)16(20-14)19-11-2-1-5-18-7-11/h1-7,12,15,22H,8-9H2,(H,19,20)
InChIKeyZGJMIDCXICVAQH-UHFFFAOYSA-N
XLogP2.03
TPSA69.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-3-(oxetan-3-yl)-2-(pyridin-3-ylamino)-4H-quinazolin-4-ol 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

6-fluoro-3-[(3S)-oxan-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498463
4-fluoro-2-(pyridin-3-ylamino)benzoic acid
CID 139804655
6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine
CID 79144359
N-(5-fluoro-2-methoxyphenyl)pyridin-3-amine
CID 82537505
N-[2-[(3R)-4-(difluoromethoxy)oxolan-3-yl]oxyphenyl]pyridin-3-amine
CID 150663350
N-(5-fluoro-2-nitrophenyl)pyridin-3-amine
CID 58459332
N-(oxolan-3-yl)pyridin-3-amine
CID 63331715
N-(1-methylpyrazol-4-yl)pyridin-3-amine
CID 82537519
N-(1-methyl-4,5-dihydroimidazol-2-yl)pyridin-3-amine
CID 11030350
6-fluoro-3-[(3S)-1-methylpyrrolidin-3-yl]-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498374
N-[5-(4-fluorophenyl)thiophen-3-yl]pyridin-3-amine
CID 174674193
3-(18F)fluoropyridine
CID 24871782

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(oxetan-3-yl)-2-(pyridin-3-ylamino)-4H-quinazolin-4-ol?
The IUPAC name of 6-fluoro-3-(oxetan-3-yl)-2-(pyridin-3-ylamino)-4H-quinazolin-4-ol (CID 166807472) is 6-fluoro-3-(oxetan-3-yl)-2-(pyridin-3-ylamino)-4H-quinazolin-4-ol.
What is the SMILES notation for 6-fluoro-3-(oxetan-3-yl)-2-(pyridin-3-ylamino)-4H-quinazolin-4-ol?
The canonical SMILES for 6-fluoro-3-(oxetan-3-yl)-2-(pyridin-3-ylamino)-4H-quinazolin-4-ol is OC1c2cc(F)ccc2N=C(Nc2cccnc2)N1C1COC1.
What is the InChIKey of 6-fluoro-3-(oxetan-3-yl)-2-(pyridin-3-ylamino)-4H-quinazolin-4-ol?
The InChIKey is ZGJMIDCXICVAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c17-10-3-4-14-13(6-10)15(22)21(12-8-23-9-12)16(20-14)19-11-2-1-5-18-7-11/h1-7,12,15,22H,8-9H2,(H,19,20).
What are the key properties of 6-fluoro-3-(oxetan-3-yl)-2-(pyridin-3-ylamino)-4H-quinazolin-4-ol?
6-fluoro-3-(oxetan-3-yl)-2-(pyridin-3-ylamino)-4H-quinazolin-4-ol has a molecular weight of 314.32 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(oxetan-3-yl)-2-(pyridin-3-ylamino)-4H-quinazolin-4-ol is sourced from PubChem (CID 166807472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).