2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol

C21H21Cl2N3O — CID 157402306

IUPAC2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)C1
InChIInChI=1S/C21H21Cl2N3O/c22-16-5-3-15(4-6-16)17-10-18-20(11-19(17)23)24-13-25-21(18)26-8-1-2-14(12-26)7-9-27/h3-6,10-11,13-14,27H,1-2,7-9,12H2
InChIKeyFRZNMQOLNVECSO-UHFFFAOYSA-N
MW402.33 g/mol
LogP5.20
Rot. Bonds4

About 2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol

2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol (PubChem CID 157402306) has the molecular formula C21H21Cl2N3O and a molecular weight of 402.33 g/mol. Its IUPAC name is 2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol
PubChem CID157402306
Molecular FormulaC21H21Cl2N3O
Molecular Weight402.33 g/mol
Exact Mass401.11
IUPAC Name2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol
SMILESOCCC1CCCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)C1
InChIInChI=1S/C21H21Cl2N3O/c22-16-5-3-15(4-6-16)17-10-18-20(11-19(17)23)24-13-25-21(18)26-8-1-2-14(12-26)7-9-27/h3-6,10-11,13-14,27H,1-2,7-9,12H2
InChIKeyFRZNMQOLNVECSO-UHFFFAOYSA-N
XLogP5.20
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.33
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 157377652
4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carboxylic acid
CID 123476126
4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-2-carbonitrile
CID 118019018
2-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetamide
CID 118010641
2-[1-(5-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
CID 105370226
7-chloro-6-(4-chlorophenyl)-4-(4-ethenylsulfonylpiperazin-1-yl)quinazoline
CID 118010329
tert-butyl 2-carbamoyl-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazine-1-carboxylate
CID 118010462
(E)-4-[4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-N,N-dimethylbut-2-en-1-amine
CID 151167222
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]quinazoline-7-carboxylic acid
CID 114797984
2-[(3R)-1-[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-3-yl]ethanol
CID 164631493
7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline
CID 86949423
2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
CID 107229203

Frequently Asked Questions

What is the IUPAC name of 2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol (CID 157402306) is 2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol is OCCC1CCCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)C1.
What is the InChIKey of 2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol?
The InChIKey is FRZNMQOLNVECSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O/c22-16-5-3-15(4-6-16)17-10-18-20(11-19(17)23)24-13-25-21(18)26-8-1-2-14(12-26)7-9-27/h3-6,10-11,13-14,27H,1-2,7-9,12H2.
What are the key properties of 2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol?
2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol has a molecular weight of 402.33 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidin-3-yl]ethanol is sourced from PubChem (CID 157402306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).