1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]piperidine-4-carboxamide

C20H19FN4O2 — CID 135984596

IUPAC1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccccc3O)nc3ccc(F)cc23)CC1
InChIInChI=1S/C20H19FN4O2/c21-13-5-6-16-15(11-13)20(25-9-7-12(8-10-25)18(22)27)24-19(23-16)14-3-1-2-4-17(14)26/h1-6,11-12,26H,7-10H2,(H2,22,27)
InChIKeyDNSNMMBESSZSIU-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.84
Rot. Bonds3

About 1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]piperidine-4-carboxamide

1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]piperidine-4-carboxamide (PubChem CID 135984596) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]piperidine-4-carboxamide
PubChem CID135984596
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccccc3O)nc3ccc(F)cc23)CC1
InChIInChI=1S/C20H19FN4O2/c21-13-5-6-16-15(11-13)20(25-9-7-12(8-10-25)18(22)27)24-19(23-16)14-3-1-2-4-17(14)26/h1-6,11-12,26H,7-10H2,(H2,22,27)
InChIKeyDNSNMMBESSZSIU-UHFFFAOYSA-N
XLogP2.84
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]piperidine-4-carboxamide (CID 135984596) is 1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nc(-c3ccccc3O)nc3ccc(F)cc23)CC1.
What is the InChIKey of 1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]piperidine-4-carboxamide?
The InChIKey is DNSNMMBESSZSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-13-5-6-16-15(11-13)20(25-9-7-12(8-10-25)18(22)27)24-19(23-16)14-3-1-2-4-17(14)26/h1-6,11-12,26H,7-10H2,(H2,22,27).
What are the key properties of 1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]piperidine-4-carboxamide?
1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]piperidine-4-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 135984596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).