(4,4-difluoropiperidin-1-yl)-[3-(8-hydroxy-1,2-dihydroquinazolin-6-yl)phenyl]methanone

C20H19F2N3O2 — CID 151746235

IUPAC(4,4-difluoropiperidin-1-yl)-[3-(8-hydroxy-1,2-dihydroquinazolin-6-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2cc(O)c3c(c2)C=NCN3)c1)N1CCC(F)(F)CC1
InChIInChI=1S/C20H19F2N3O2/c21-20(22)4-6-25(7-5-20)19(27)14-3-1-2-13(8-14)15-9-16-11-23-12-24-18(16)17(26)10-15/h1-3,8-11,24,26H,4-7,12H2
InChIKeyOJSVJCGBAHSPAY-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.73
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-[3-(8-hydroxy-1,2-dihydroquinazolin-6-yl)phenyl]methanone

(4,4-difluoropiperidin-1-yl)-[3-(8-hydroxy-1,2-dihydroquinazolin-6-yl)phenyl]methanone (PubChem CID 151746235) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[3-(8-hydroxy-1,2-dihydroquinazolin-6-yl)phenyl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[3-(8-hydroxy-1,2-dihydroquinazolin-6-yl)phenyl]methanone
PubChem CID151746235
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name(4,4-difluoropiperidin-1-yl)-[3-(8-hydroxy-1,2-dihydroquinazolin-6-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2cc(O)c3c(c2)C=NCN3)c1)N1CCC(F)(F)CC1
InChIInChI=1S/C20H19F2N3O2/c21-20(22)4-6-25(7-5-20)19(27)14-3-1-2-13(8-14)15-9-16-11-23-12-24-18(16)17(26)10-15/h1-3,8-11,24,26H,4-7,12H2
InChIKeyOJSVJCGBAHSPAY-UHFFFAOYSA-N
XLogP3.73
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone
CID 139027277
1-[5-[3-(4,4-difluoropiperidine-1-carbonyl)phenyl]thiophen-2-yl]-2-methylpropan-1-one
CID 121494320
[3-(2-bromophenyl)phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone
CID 170459978
[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 53218719
(2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 155245200
(4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone
CID 123839744
[4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-hydroxyphenyl)phenyl]methanone
CID 2106289
[3-(4-hydroxyphenyl)phenyl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
CID 74250458
(4,4-difluoropiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 110090789
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone
CID 81097779
[3-(4-fluorophenyl)phenyl]-[(4S)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]methanone
CID 95707324

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[3-(8-hydroxy-1,2-dihydroquinazolin-6-yl)phenyl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[3-(8-hydroxy-1,2-dihydroquinazolin-6-yl)phenyl]methanone (CID 151746235) is (4,4-difluoropiperidin-1-yl)-[3-(8-hydroxy-1,2-dihydroquinazolin-6-yl)phenyl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[3-(8-hydroxy-1,2-dihydroquinazolin-6-yl)phenyl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[3-(8-hydroxy-1,2-dihydroquinazolin-6-yl)phenyl]methanone is O=C(c1cccc(-c2cc(O)c3c(c2)C=NCN3)c1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[3-(8-hydroxy-1,2-dihydroquinazolin-6-yl)phenyl]methanone?
The InChIKey is OJSVJCGBAHSPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c21-20(22)4-6-25(7-5-20)19(27)14-3-1-2-13(8-14)15-9-16-11-23-12-24-18(16)17(26)10-15/h1-3,8-11,24,26H,4-7,12H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[3-(8-hydroxy-1,2-dihydroquinazolin-6-yl)phenyl]methanone?
(4,4-difluoropiperidin-1-yl)-[3-(8-hydroxy-1,2-dihydroquinazolin-6-yl)phenyl]methanone has a molecular weight of 371.39 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[3-(8-hydroxy-1,2-dihydroquinazolin-6-yl)phenyl]methanone is sourced from PubChem (CID 151746235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).