3-(6-chloroquinazolin-2-yl)propan-1-ol

C11H11ClN2O — CID 105480030

IUPAC3-(6-chloroquinazolin-2-yl)propan-1-ol
SMILESOCCCc1ncc2cc(Cl)ccc2n1
InChIInChI=1S/C11H11ClN2O/c12-9-3-4-10-8(6-9)7-13-11(14-10)2-1-5-15/h3-4,6-7,15H,1-2,5H2
InChIKeyLFLYRCKDYBBHKA-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.21
Rot. Bonds3

About 3-(6-chloroquinazolin-2-yl)propan-1-ol

3-(6-chloroquinazolin-2-yl)propan-1-ol (PubChem CID 105480030) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 3-(6-chloroquinazolin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6-chloroquinazolin-2-yl)propan-1-ol
PubChem CID105480030
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name3-(6-chloroquinazolin-2-yl)propan-1-ol
SMILESOCCCc1ncc2cc(Cl)ccc2n1
InChIInChI=1S/C11H11ClN2O/c12-9-3-4-10-8(6-9)7-13-11(14-10)2-1-5-15/h3-4,6-7,15H,1-2,5H2
InChIKeyLFLYRCKDYBBHKA-UHFFFAOYSA-N
XLogP2.21
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(4-chlorophenyl)quinazoline
CID 57333326
2-(6-fluoroquinazolin-2-yl)ethanamine
CID 105444824
3-(4-chloro-6-methylquinazolin-2-yl)propan-1-ol
CID 105498483
7-chloro-2-ethylquinazoline
CID 167510442
2-(4-amino-6-chloroquinazolin-2-yl)ethanol
CID 105481482
2-butyl-6-nitroquinazoline
CID 101015505
1-(6-chloroquinazolin-2-yl)cyclopropan-1-amine;dihydrochloride
CID 141236937
6-chloroquinoline-3-carboxylic acid
CID 14241492
3-(4-chloro-2-fluorophenyl)propan-1-ol
CID 53425229
3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol
CID 46308166
6-propan-2-yl-2-propylquinazoline
CID 91323397
6-chloro-N-phenylquinazoline-2-carboxamide
CID 14528220

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroquinazolin-2-yl)propan-1-ol?
The IUPAC name of 3-(6-chloroquinazolin-2-yl)propan-1-ol (CID 105480030) is 3-(6-chloroquinazolin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(6-chloroquinazolin-2-yl)propan-1-ol?
The canonical SMILES for 3-(6-chloroquinazolin-2-yl)propan-1-ol is OCCCc1ncc2cc(Cl)ccc2n1.
What is the InChIKey of 3-(6-chloroquinazolin-2-yl)propan-1-ol?
The InChIKey is LFLYRCKDYBBHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-9-3-4-10-8(6-9)7-13-11(14-10)2-1-5-15/h3-4,6-7,15H,1-2,5H2.
What are the key properties of 3-(6-chloroquinazolin-2-yl)propan-1-ol?
3-(6-chloroquinazolin-2-yl)propan-1-ol has a molecular weight of 222.68 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroquinazolin-2-yl)propan-1-ol is sourced from PubChem (CID 105480030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).