1-(7-chloroquinazolin-4-yl)piperidin-4-ol

C13H14ClN3O — CID 17488821

IUPAC1-(7-chloroquinazolin-4-yl)piperidin-4-ol
SMILESOC1CCN(c2ncnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C13H14ClN3O/c14-9-1-2-11-12(7-9)15-8-16-13(11)17-5-3-10(18)4-6-17/h1-2,7-8,10,18H,3-6H2
InChIKeyYMEXKJSADKUZRU-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.24
Rot. Bonds1

About 1-(7-chloroquinazolin-4-yl)piperidin-4-ol

1-(7-chloroquinazolin-4-yl)piperidin-4-ol (PubChem CID 17488821) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 1-(7-chloroquinazolin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(7-chloroquinazolin-4-yl)piperidin-4-ol
PubChem CID17488821
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name1-(7-chloroquinazolin-4-yl)piperidin-4-ol
SMILESOC1CCN(c2ncnc3cc(Cl)ccc23)CC1
InChIInChI=1S/C13H14ClN3O/c14-9-1-2-11-12(7-9)15-8-16-13(11)17-5-3-10(18)4-6-17/h1-2,7-8,10,18H,3-6H2
InChIKeyYMEXKJSADKUZRU-UHFFFAOYSA-N
XLogP2.24
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]methyl]morpholine
CID 87015234
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide
CID 24829708
2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 87015310
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 86839632
1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 86885508
(4-chlorophenyl)-[(3S)-3-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone
CID 143257056
7-chloro-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]quinazoline
CID 86876437
7-chloro-4-(4-ethyl-1,4-diazepan-1-yl)quinazoline
CID 86933291
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide
CID 86884110
(4-chlorophenyl)-[1-[1-(7-chloroquinazolin-4-yl)-4-hydroxypyrrolidin-3-yl]piperidin-4-yl]methanone
CID 67392969
4-(7-chloroquinazolin-4-yl)piperazin-2-one
CID 24507988
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2,5-difluorobenzamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide
CID 87611497

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloroquinazolin-4-yl)piperidin-4-ol?
The IUPAC name of 1-(7-chloroquinazolin-4-yl)piperidin-4-ol (CID 17488821) is 1-(7-chloroquinazolin-4-yl)piperidin-4-ol.
What is the SMILES notation for 1-(7-chloroquinazolin-4-yl)piperidin-4-ol?
The canonical SMILES for 1-(7-chloroquinazolin-4-yl)piperidin-4-ol is OC1CCN(c2ncnc3cc(Cl)ccc23)CC1.
What is the InChIKey of 1-(7-chloroquinazolin-4-yl)piperidin-4-ol?
The InChIKey is YMEXKJSADKUZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-9-1-2-11-12(7-9)15-8-16-13(11)17-5-3-10(18)4-6-17/h1-2,7-8,10,18H,3-6H2.
What are the key properties of 1-(7-chloroquinazolin-4-yl)piperidin-4-ol?
1-(7-chloroquinazolin-4-yl)piperidin-4-ol has a molecular weight of 263.73 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloroquinazolin-4-yl)piperidin-4-ol is sourced from PubChem (CID 17488821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).