2-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline

C20H20ClN3 — CID 20963253

IUPAC2-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline
SMILESCC1CCCN(c2nc(-c3ccc(Cl)cc3)nc3ccccc23)C1
InChIInChI=1S/C20H20ClN3/c1-14-5-4-12-24(13-14)20-17-6-2-3-7-18(17)22-19(23-20)15-8-10-16(21)11-9-15/h2-3,6-11,14H,4-5,12-13H2,1H3
InChIKeyBMXNJNXHOXAUJB-UHFFFAOYSA-N
MW337.85 g/mol
LogP5.19
Rot. Bonds2

About 2-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline

2-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline (PubChem CID 20963253) has the molecular formula C20H20ClN3 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline
PubChem CID20963253
Molecular FormulaC20H20ClN3
Molecular Weight337.85 g/mol
Exact Mass337.13
IUPAC Name2-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline
SMILESCC1CCCN(c2nc(-c3ccc(Cl)cc3)nc3ccccc23)C1
InChIInChI=1S/C20H20ClN3/c1-14-5-4-12-24(13-14)20-17-6-2-3-7-18(17)22-19(23-20)15-8-10-16(21)11-9-15/h2-3,6-11,14H,4-5,12-13H2,1H3
InChIKeyBMXNJNXHOXAUJB-UHFFFAOYSA-N
XLogP5.19
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.85
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline
CID 23740947
2-chloro-4-[(3S)-3-methylpiperidin-1-yl]quinazoline
CID 42149941
(2R,6R)-4-[2-(4-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine
CID 1181449
2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)quinazoline
CID 20963273
N-methyl-4-(3-methylpiperidin-1-yl)quinazolin-2-amine
CID 80764711
1-(2-pyridin-4-ylquinazolin-4-yl)piperidin-3-ol
CID 11415528
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline
CID 731359
4-(azepan-1-yl)-2-(4-tert-butylphenyl)quinazoline
CID 23852302
4-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-2-pyridin-4-ylquinazoline
CID 133396172
2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylquinazoline
CID 914636
2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline
CID 659763
2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide
CID 133355934

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline?
The IUPAC name of 2-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline (CID 20963253) is 2-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline?
The canonical SMILES for 2-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline is CC1CCCN(c2nc(-c3ccc(Cl)cc3)nc3ccccc23)C1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline?
The InChIKey is BMXNJNXHOXAUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3/c1-14-5-4-12-24(13-14)20-17-6-2-3-7-18(17)22-19(23-20)15-8-10-16(21)11-9-15/h2-3,6-11,14H,4-5,12-13H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline?
2-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline has a molecular weight of 337.85 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline is sourced from PubChem (CID 20963253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).