4-(4-fluorophenyl)-1-[4-(quinazolin-4-ylamino)phenyl]piperidin-4-ol

C25H23FN4O — CID 163201876

IUPAC4-(4-fluorophenyl)-1-[4-(quinazolin-4-ylamino)phenyl]piperidin-4-ol
SMILESOC1(c2ccc(F)cc2)CCN(c2ccc(Nc3ncnc4ccccc34)cc2)CC1
InChIInChI=1S/C25H23FN4O/c26-19-7-5-18(6-8-19)25(31)13-15-30(16-14-25)21-11-9-20(10-12-21)29-24-22-3-1-2-4-23(22)27-17-28-24/h1-12,17,31H,13-16H2,(H,27,28,29)
InChIKeyFXCFFRQCHNTUIX-UHFFFAOYSA-N
MW414.48 g/mol
LogP5.00
Rot. Bonds4

About 4-(4-fluorophenyl)-1-[4-(quinazolin-4-ylamino)phenyl]piperidin-4-ol

4-(4-fluorophenyl)-1-[4-(quinazolin-4-ylamino)phenyl]piperidin-4-ol (PubChem CID 163201876) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[4-(quinazolin-4-ylamino)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[4-(quinazolin-4-ylamino)phenyl]piperidin-4-ol
PubChem CID163201876
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name4-(4-fluorophenyl)-1-[4-(quinazolin-4-ylamino)phenyl]piperidin-4-ol
SMILESOC1(c2ccc(F)cc2)CCN(c2ccc(Nc3ncnc4ccccc34)cc2)CC1
InChIInChI=1S/C25H23FN4O/c26-19-7-5-18(6-8-19)25(31)13-15-30(16-14-25)21-11-9-20(10-12-21)29-24-22-3-1-2-4-23(22)27-17-28-24/h1-12,17,31H,13-16H2,(H,27,28,29)
InChIKeyFXCFFRQCHNTUIX-UHFFFAOYSA-N
XLogP5.00
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.48
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

Cdk5-IN-3
CID 156212722
2-{4-[(Pyridin-3-ylmethyl)-amino]-quinazolin-2-yl}-phenol
CID 935994
(1R)-1-[7-[(2-ethyl-5-fluoro-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166632020
(1R)-1-[7-[(5-fluoro-2-propan-2-yl-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166632368
(1R)-1-[7-(5-ethyl-2-fluoroanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166636505
1-(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 664724
1-(5H-pyrimido[5,4-b]indol-4-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 658534
(3-((2-(Pyridin-3-yl)quinazolin-4-yl)amino)phenyl)methanol
CID 9109771
(3-{[2-(Pyridin-4-yl)quinazolin-4-yl]amino}phenyl)methanol
CID 24626581
(1R)-1-[7-(2-fluoroanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166626052
(1R)-1-[7-[[5-fluoro-2-(propan-2-ylamino)-4-pyridinyl]amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166627570
(1R)-1-[7-[2-fluoro-5-(trifluoromethyl)anilino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166636216

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[4-(quinazolin-4-ylamino)phenyl]piperidin-4-ol?
The IUPAC name of 4-(4-fluorophenyl)-1-[4-(quinazolin-4-ylamino)phenyl]piperidin-4-ol (CID 163201876) is 4-(4-fluorophenyl)-1-[4-(quinazolin-4-ylamino)phenyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[4-(quinazolin-4-ylamino)phenyl]piperidin-4-ol?
The canonical SMILES for 4-(4-fluorophenyl)-1-[4-(quinazolin-4-ylamino)phenyl]piperidin-4-ol is OC1(c2ccc(F)cc2)CCN(c2ccc(Nc3ncnc4ccccc34)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[4-(quinazolin-4-ylamino)phenyl]piperidin-4-ol?
The InChIKey is FXCFFRQCHNTUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O/c26-19-7-5-18(6-8-19)25(31)13-15-30(16-14-25)21-11-9-20(10-12-21)29-24-22-3-1-2-4-23(22)27-17-28-24/h1-12,17,31H,13-16H2,(H,27,28,29).
What are the key properties of 4-(4-fluorophenyl)-1-[4-(quinazolin-4-ylamino)phenyl]piperidin-4-ol?
4-(4-fluorophenyl)-1-[4-(quinazolin-4-ylamino)phenyl]piperidin-4-ol has a molecular weight of 414.48 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[4-(quinazolin-4-ylamino)phenyl]piperidin-4-ol is sourced from PubChem (CID 163201876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).