2-(3-chlorophenyl)-4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline

C23H27ClN6 — CID 133349177

IUPAC2-(3-chlorophenyl)-4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
SMILESCCn1cnnc1C1CCCN(c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)C1
InChIInChI=1S/C23H27ClN6/c1-2-29-15-25-28-22(29)17-8-6-12-30(14-17)23-19-10-3-4-11-20(19)26-21(27-23)16-7-5-9-18(24)13-16/h5,7,9,13,15,17H,2-4,6,8,10-12,14H2,1H3
InChIKeyFFNGJJGWWIHZIQ-UHFFFAOYSA-N
MW422.96 g/mol
LogP4.67
Rot. Bonds4

About 2-(3-chlorophenyl)-4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline

2-(3-chlorophenyl)-4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline (PubChem CID 133349177) has the molecular formula C23H27ClN6 and a molecular weight of 422.96 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
PubChem CID133349177
Molecular FormulaC23H27ClN6
Molecular Weight422.96 g/mol
Exact Mass422.20
IUPAC Name2-(3-chlorophenyl)-4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
SMILESCCn1cnnc1C1CCCN(c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)C1
InChIInChI=1S/C23H27ClN6/c1-2-29-15-25-28-22(29)17-8-6-12-30(14-17)23-19-10-3-4-11-20(19)26-21(27-23)16-7-5-9-18(24)13-16/h5,7,9,13,15,17H,2-4,6,8,10-12,14H2,1H3
InChIKeyFFNGJJGWWIHZIQ-UHFFFAOYSA-N
XLogP4.67
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-chlorophenyl)-4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline 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-[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]-2-(methoxymethyl)morpholine
CID 133349338
(3R)-1-[(1S)-1-(3-chlorophenyl)ethyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 97060329
2-methyl-4-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 124885661
4-(2-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-thiazole
CID 133452045
6-(4-chlorophenyl)-2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 133493713
2-[(3S)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-benzoxazole
CID 97211645
5-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
CID 75442478
(3S)-1-cycloheptyl-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 95111280
2-(3-chlorophenyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63486503
1-[(3,4-dimethoxyphenyl)methyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 136519607
[4-[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 133349146
(3aR,7aS)-1-[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-7-one
CID 100897390

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2-(3-chlorophenyl)-4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline (CID 133349177) is 2-(3-chlorophenyl)-4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2-(3-chlorophenyl)-4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2-(3-chlorophenyl)-4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline is CCn1cnnc1C1CCCN(c2nc(-c3cccc(Cl)c3)nc3c2CCCC3)C1.
What is the InChIKey of 2-(3-chlorophenyl)-4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The InChIKey is FFNGJJGWWIHZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6/c1-2-29-15-25-28-22(29)17-8-6-12-30(14-17)23-19-10-3-4-11-20(19)26-21(27-23)16-7-5-9-18(24)13-16/h5,7,9,13,15,17H,2-4,6,8,10-12,14H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
2-(3-chlorophenyl)-4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline has a molecular weight of 422.96 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 133349177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).