4-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)quinazoline

C20H20ClN3 — CID 11279161

IUPAC4-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)quinazoline
SMILESCN1CCC(c2nc(-c3ccccc3Cl)c3ccccc3n2)CC1
InChIInChI=1S/C20H20ClN3/c1-24-12-10-14(11-13-24)20-22-18-9-5-3-7-16(18)19(23-20)15-6-2-4-8-17(15)21/h2-9,14H,10-13H2,1H3
InChIKeyUFTJALITGQQYOO-UHFFFAOYSA-N
MW337.85 g/mol
LogP4.76
Rot. Bonds2

About 4-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)quinazoline

4-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)quinazoline (PubChem CID 11279161) has the molecular formula C20H20ClN3 and a molecular weight of 337.85 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)quinazoline.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)quinazoline
PubChem CID11279161
Molecular FormulaC20H20ClN3
Molecular Weight337.85 g/mol
Exact Mass337.13
IUPAC Name4-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)quinazoline
SMILESCN1CCC(c2nc(-c3ccccc3Cl)c3ccccc3n2)CC1
InChIInChI=1S/C20H20ClN3/c1-24-12-10-14(11-13-24)20-22-18-9-5-3-7-16(18)19(23-20)15-6-2-4-8-17(15)21/h2-9,14H,10-13H2,1H3
InChIKeyUFTJALITGQQYOO-UHFFFAOYSA-N
XLogP4.76
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)quinazoline?
The IUPAC name of 4-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)quinazoline (CID 11279161) is 4-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)quinazoline.
What is the SMILES notation for 4-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)quinazoline?
The canonical SMILES for 4-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)quinazoline is CN1CCC(c2nc(-c3ccccc3Cl)c3ccccc3n2)CC1.
What is the InChIKey of 4-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)quinazoline?
The InChIKey is UFTJALITGQQYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3/c1-24-12-10-14(11-13-24)20-22-18-9-5-3-7-16(18)19(23-20)15-6-2-4-8-17(15)21/h2-9,14H,10-13H2,1H3.
What are the key properties of 4-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)quinazoline?
4-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)quinazoline has a molecular weight of 337.85 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-(1-methylpiperidin-4-yl)quinazoline is sourced from PubChem (CID 11279161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).