1-[6-chloro-4-(2-chlorophenyl)quinazolin-2-yl]piperidin-4-ol;hydrochloride

C19H18Cl3N3O — CID 3070833

IUPAC1-[6-chloro-4-(2-chlorophenyl)quinazolin-2-yl]piperidin-4-ol;hydrochloride
SMILESCl.OC1CCN(c2nc(-c3ccccc3Cl)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C19H17Cl2N3O.ClH/c20-12-5-6-17-15(11-12)18(14-3-1-2-4-16(14)21)23-19(22-17)24-9-7-13(25)8-10-24;/h1-6,11,13,25H,7-10H2;1H
InChIKeySTBUEXKJARHVJB-UHFFFAOYSA-N
MW410.73 g/mol
LogP4.99
Rot. Bonds2

About 1-[6-chloro-4-(2-chlorophenyl)quinazolin-2-yl]piperidin-4-ol;hydrochloride

1-[6-chloro-4-(2-chlorophenyl)quinazolin-2-yl]piperidin-4-ol;hydrochloride (PubChem CID 3070833) has the molecular formula C19H18Cl3N3O and a molecular weight of 410.73 g/mol. Its IUPAC name is 1-[6-chloro-4-(2-chlorophenyl)quinazolin-2-yl]piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name1-[6-chloro-4-(2-chlorophenyl)quinazolin-2-yl]piperidin-4-ol;hydrochloride
PubChem CID3070833
Molecular FormulaC19H18Cl3N3O
Molecular Weight410.73 g/mol
Exact Mass409.05
IUPAC Name1-[6-chloro-4-(2-chlorophenyl)quinazolin-2-yl]piperidin-4-ol;hydrochloride
SMILESCl.OC1CCN(c2nc(-c3ccccc3Cl)c3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C19H17Cl2N3O.ClH/c20-12-5-6-17-15(11-12)18(14-3-1-2-4-16(14)21)23-19(22-17)24-9-7-13(25)8-10-24;/h1-6,11,13,25H,7-10H2;1H
InChIKeySTBUEXKJARHVJB-UHFFFAOYSA-N
XLogP4.99
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.73
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-4-(2-chlorophenyl)quinazolin-2-yl]piperidin-4-ol;hydrochloride?
The IUPAC name of 1-[6-chloro-4-(2-chlorophenyl)quinazolin-2-yl]piperidin-4-ol;hydrochloride (CID 3070833) is 1-[6-chloro-4-(2-chlorophenyl)quinazolin-2-yl]piperidin-4-ol;hydrochloride.
What is the SMILES notation for 1-[6-chloro-4-(2-chlorophenyl)quinazolin-2-yl]piperidin-4-ol;hydrochloride?
The canonical SMILES for 1-[6-chloro-4-(2-chlorophenyl)quinazolin-2-yl]piperidin-4-ol;hydrochloride is Cl.OC1CCN(c2nc(-c3ccccc3Cl)c3cc(Cl)ccc3n2)CC1.
What is the InChIKey of 1-[6-chloro-4-(2-chlorophenyl)quinazolin-2-yl]piperidin-4-ol;hydrochloride?
The InChIKey is STBUEXKJARHVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O.ClH/c20-12-5-6-17-15(11-12)18(14-3-1-2-4-16(14)21)23-19(22-17)24-9-7-13(25)8-10-24;/h1-6,11,13,25H,7-10H2;1H.
What are the key properties of 1-[6-chloro-4-(2-chlorophenyl)quinazolin-2-yl]piperidin-4-ol;hydrochloride?
1-[6-chloro-4-(2-chlorophenyl)quinazolin-2-yl]piperidin-4-ol;hydrochloride has a molecular weight of 410.73 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-4-(2-chlorophenyl)quinazolin-2-yl]piperidin-4-ol;hydrochloride is sourced from PubChem (CID 3070833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).