6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline

C19H18ClN3 — CID 69016475

IUPAC6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline
SMILESClc1ccc(-c2ccc3ncnc(N4CCCCC4)c3c2)cc1
InChIInChI=1S/C19H18ClN3/c20-16-7-4-14(5-8-16)15-6-9-18-17(12-15)19(22-13-21-18)23-10-2-1-3-11-23/h4-9,12-13H,1-3,10-11H2
InChIKeyLTXMMJDWPQHOMI-UHFFFAOYSA-N
MW323.83 g/mol
LogP4.94
Rot. Bonds2

About 6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline

6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline (PubChem CID 69016475) has the molecular formula C19H18ClN3 and a molecular weight of 323.83 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline
PubChem CID69016475
Molecular FormulaC19H18ClN3
Molecular Weight323.83 g/mol
Exact Mass323.12
IUPAC Name6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline
SMILESClc1ccc(-c2ccc3ncnc(N4CCCCC4)c3c2)cc1
InChIInChI=1S/C19H18ClN3/c20-16-7-4-14(5-8-16)15-6-9-18-17(12-15)19(22-13-21-18)23-10-2-1-3-11-23/h4-9,12-13H,1-3,10-11H2
InChIKeyLTXMMJDWPQHOMI-UHFFFAOYSA-N
XLogP4.94
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-yl)-6-methoxyquinazoline
CID 21002922
[4-(4-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
CID 71842499
4-(azepan-1-yl)quinazoline
CID 5207391
1-[4-(6-chloroquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 171328778
(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(6-phenylquinazolin-4-yl)piperazin-1-yl]propan-1-one
CID 52944431
1-[[3-(4-pyrrolidin-1-ylquinazolin-6-yl)phenyl]methyl]pyrrolidine-2,5-dione
CID 57434941
4-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-6-methylquinazoline
CID 112843812
6-chloro-4-(4-ethylpiperazin-1-yl)quinazoline
CID 24742050
piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
CID 71842473
4-[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]benzoic acid
CID 39820555
N,N-dimethyl-4-(4-piperazin-1-ylquinazolin-6-yl)aniline
CID 3234272
(3S)-1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 157377652

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline?
The IUPAC name of 6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline (CID 69016475) is 6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline.
What is the SMILES notation for 6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline?
The canonical SMILES for 6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline is Clc1ccc(-c2ccc3ncnc(N4CCCCC4)c3c2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline?
The InChIKey is LTXMMJDWPQHOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3/c20-16-7-4-14(5-8-16)15-6-9-18-17(12-15)19(22-13-21-18)23-10-2-1-3-11-23/h4-9,12-13H,1-3,10-11H2.
What are the key properties of 6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline?
6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline has a molecular weight of 323.83 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline is sourced from PubChem (CID 69016475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).