N-[1-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperidin-4-yl]butanamide

C23H26N4O2 — CID 143198414

IUPACN-[1-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(c2nc(-c3ccccc3O)nc3ccccc23)CC1
InChIInChI=1S/C23H26N4O2/c1-2-7-21(29)24-16-12-14-27(15-13-16)23-17-8-3-5-10-19(17)25-22(26-23)18-9-4-6-11-20(18)28/h3-6,8-11,16,28H,2,7,12-15H2,1H3,(H,24,29)
InChIKeySPGXRMONLLYXLS-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.89
Rot. Bonds5

About N-[1-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperidin-4-yl]butanamide

N-[1-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperidin-4-yl]butanamide (PubChem CID 143198414) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[1-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-[1-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperidin-4-yl]butanamide
PubChem CID143198414
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[1-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(c2nc(-c3ccccc3O)nc3ccccc23)CC1
InChIInChI=1S/C23H26N4O2/c1-2-7-21(29)24-16-12-14-27(15-13-16)23-17-8-3-5-10-19(17)25-22(26-23)18-9-4-6-11-20(18)28/h3-6,8-11,16,28H,2,7,12-15H2,1H3,(H,24,29)
InChIKeySPGXRMONLLYXLS-UHFFFAOYSA-N
XLogP3.89
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]phenol
CID 710985
2-hydroxy-N-[1-[2-(2-methylphenyl)quinazolin-4-yl]piperidin-4-yl]pentanamide
CID 158530174
N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen
CID 159426749
2-[4-(4-aminopiperidin-1-yl)-7-methylquinazolin-2-yl]phenol;N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]-3-methylbutanamide
CID 161090945
N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-3-pyridin-2-ylpropanamide;molecular hydrogen
CID 162119129
ethyl N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate
CID 135410876
N-[(3R)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]-3,3-dimethylbutanamide;molecular hydrogen
CID 160958505
N-[1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-4-yl]acetamide
CID 49431018
2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]hexan-1-one;molecular hydrogen
CID 158576583
molecular hydrogen;[(3R)-oxolan-3-yl] N-[1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]piperidin-4-yl]carbamate
CID 160741748
(3R)-3-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]butan-1-one;molecular hydrogen
CID 159133211
2-methoxyethyl N-[(3S)-1-[2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl]pyrrolidin-3-yl]carbamate
CID 135771832

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperidin-4-yl]butanamide?
The IUPAC name of N-[1-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperidin-4-yl]butanamide (CID 143198414) is N-[1-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperidin-4-yl]butanamide.
What is the SMILES notation for N-[1-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperidin-4-yl]butanamide?
The canonical SMILES for N-[1-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperidin-4-yl]butanamide is CCCC(=O)NC1CCN(c2nc(-c3ccccc3O)nc3ccccc23)CC1.
What is the InChIKey of N-[1-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperidin-4-yl]butanamide?
The InChIKey is SPGXRMONLLYXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-2-7-21(29)24-16-12-14-27(15-13-16)23-17-8-3-5-10-19(17)25-22(26-23)18-9-4-6-11-20(18)28/h3-6,8-11,16,28H,2,7,12-15H2,1H3,(H,24,29).
What are the key properties of N-[1-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperidin-4-yl]butanamide?
N-[1-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperidin-4-yl]butanamide has a molecular weight of 390.49 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperidin-4-yl]butanamide is sourced from PubChem (CID 143198414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).