2-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]phenol

C20H21N3O — CID 710985

IUPAC2-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]phenol
SMILESCC1CCN(c2nc(-c3ccccc3O)nc3ccccc23)CC1
InChIInChI=1S/C20H21N3O/c1-14-10-12-23(13-11-14)20-15-6-2-4-8-17(15)21-19(22-20)16-7-3-5-9-18(16)24/h2-9,14,24H,10-13H2,1H3
InChIKeyYAGQSKPPRIOIBM-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.24
Rot. Bonds2

About 2-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]phenol

2-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]phenol (PubChem CID 710985) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]phenol
PubChem CID710985
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]phenol
SMILESCC1CCN(c2nc(-c3ccccc3O)nc3ccccc23)CC1
InChIInChI=1S/C20H21N3O/c1-14-10-12-23(13-11-14)20-15-6-2-4-8-17(15)21-19(22-20)16-7-3-5-9-18(16)24/h2-9,14,24H,10-13H2,1H3
InChIKeyYAGQSKPPRIOIBM-UHFFFAOYSA-N
XLogP4.24
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperidin-4-yl]butanamide
CID 143198414
2-[4-(4-benzhydrylpiperazin-1-yl)quinazolin-2-yl]phenol
CID 2921945
N-methyl-4-(4-methylpiperidin-1-yl)quinazolin-2-amine
CID 80767148
(3R)-3-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]butan-1-one;molecular hydrogen
CID 159133211
2-(7-methyl-4-piperidin-1-ylquinazolin-2-yl)phenol
CID 136638558
4-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]morpholine;hydrochloride
CID 6459337
1-[2-(2-fluorophenyl)quinazolin-4-yl]piperidine-4-carboxamide
CID 4523705
2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline
CID 914453
(2R)-2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]-4-methylpentan-1-one;molecular hydrogen
CID 160603801
2-hydroxy-1-[4-[2-(2-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]hexan-1-one;molecular hydrogen
CID 158576583
tert-butyl-[1-[6-fluoro-2-(2-hydroxyphenyl)quinazolin-4-yl]pyrrolidin-3-yl]carbamic acid
CID 136658391
2-hydroxy-N-[1-[2-(2-methylphenyl)quinazolin-4-yl]piperidin-4-yl]pentanamide
CID 158530174

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]phenol (CID 710985) is 2-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]phenol is CC1CCN(c2nc(-c3ccccc3O)nc3ccccc23)CC1.
What is the InChIKey of 2-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]phenol?
The InChIKey is YAGQSKPPRIOIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-10-12-23(13-11-14)20-15-6-2-4-8-17(15)21-19(22-20)16-7-3-5-9-18(16)24/h2-9,14,24H,10-13H2,1H3.
What are the key properties of 2-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]phenol?
2-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]phenol has a molecular weight of 319.41 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]phenol is sourced from PubChem (CID 710985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).