2-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanol

C17H22ClN3O3 — CID 175341793

IUPAC2-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanol
SMILESCOc1cc2nc(Cl)nc(N3CCC(CCO)CC3)c2cc1OC
InChIInChI=1S/C17H22ClN3O3/c1-23-14-9-12-13(10-15(14)24-2)19-17(18)20-16(12)21-6-3-11(4-7-21)5-8-22/h9-11,22H,3-8H2,1-2H3
InChIKeyQQZDNZKUHUEVKJ-UHFFFAOYSA-N
MW351.83 g/mol
LogP2.90
Rot. Bonds5

About 2-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanol

2-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanol (PubChem CID 175341793) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 2-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanol
PubChem CID175341793
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name2-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanol
SMILESCOc1cc2nc(Cl)nc(N3CCC(CCO)CC3)c2cc1OC
InChIInChI=1S/C17H22ClN3O3/c1-23-14-9-12-13(10-15(14)24-2)19-17(18)20-16(12)21-6-3-11(4-7-21)5-8-22/h9-11,22H,3-8H2,1-2H3
InChIKeyQQZDNZKUHUEVKJ-UHFFFAOYSA-N
XLogP2.90
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanol (CID 175341793) is 2-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanol is COc1cc2nc(Cl)nc(N3CCC(CCO)CC3)c2cc1OC.
What is the InChIKey of 2-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanol?
The InChIKey is QQZDNZKUHUEVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c1-23-14-9-12-13(10-15(14)24-2)19-17(18)20-16(12)21-6-3-11(4-7-21)5-8-22/h9-11,22H,3-8H2,1-2H3.
What are the key properties of 2-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanol?
2-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanol has a molecular weight of 351.83 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethanol is sourced from PubChem (CID 175341793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).