4-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)quinazoline

C24H23N3O — CID 91964253

IUPAC4-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)quinazoline
SMILESc1ccc(CC2CCN(c3nc(-c4ccco4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C24H23N3O/c1-2-7-18(8-3-1)17-19-12-14-27(15-13-19)24-20-9-4-5-10-21(20)25-23(26-24)22-11-6-16-28-22/h1-11,16,19H,12-15,17H2
InChIKeyPKLZEZWUEARJLH-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.35
Rot. Bonds4

About 4-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)quinazoline

4-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)quinazoline (PubChem CID 91964253) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)quinazoline.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)quinazoline
PubChem CID91964253
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name4-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)quinazoline
SMILESc1ccc(CC2CCN(c3nc(-c4ccco4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C24H23N3O/c1-2-7-18(8-3-1)17-19-12-14-27(15-13-19)24-20-9-4-5-10-21(20)25-23(26-24)22-11-6-16-28-22/h1-11,16,19H,12-15,17H2
InChIKeyPKLZEZWUEARJLH-UHFFFAOYSA-N
XLogP5.35
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-benzylpiperidin-1-yl)-2-phenylquinazoline
CID 10177767
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
7-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50800419
4-[4-(2-phenylethyl)piperazin-1-yl]-2-pyridin-4-ylquinazoline
CID 24626620
12-(4-benzylpiperidin-1-yl)-7-(furan-2-yl)-14-methylsulfanyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene
CID 2039578
4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline
CID 1191881
4-(4-benzylpiperidin-1-yl)-2-phenylpyrimidine-5-carboxylic acid
CID 42670559
7-(4-benzylpiperidin-1-yl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridine
CID 11515256
4-(4-benzylpiperidin-1-yl)tetrazolo[1,5-a]quinoxaline
CID 3241422
cyclobutyl-[4-[2-(furan-2-yl)-6-methylquinazolin-4-yl]piperazin-1-yl]methanone
CID 83277028
2-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)ethanamine
CID 43346331
2-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]phenol
CID 710985

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)quinazoline?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)quinazoline (CID 91964253) is 4-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)quinazoline.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)quinazoline?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)quinazoline is c1ccc(CC2CCN(c3nc(-c4ccco4)nc4ccccc34)CC2)cc1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)quinazoline?
The InChIKey is PKLZEZWUEARJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-2-7-18(8-3-1)17-19-12-14-27(15-13-19)24-20-9-4-5-10-21(20)25-23(26-24)22-11-6-16-28-22/h1-11,16,19H,12-15,17H2.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)quinazoline?
4-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)quinazoline has a molecular weight of 369.47 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)quinazoline is sourced from PubChem (CID 91964253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).