6-benzyl-4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C22H22ClN3 — CID 134793357

IUPAC6-benzyl-4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C22H22ClN3/c1-2-21-24-20-12-13-26(14-16-6-4-3-5-7-16)15-19(20)22(25-21)17-8-10-18(23)11-9-17/h3-11H,2,12-15H2,1H3
InChIKeyYQGSUWMJOSMNKP-UHFFFAOYSA-N
MW363.89 g/mol
LogP4.92
Rot. Bonds4

About 6-benzyl-4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-benzyl-4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 134793357) has the molecular formula C22H22ClN3 and a molecular weight of 363.89 g/mol. Its IUPAC name is 6-benzyl-4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-benzyl-4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID134793357
Molecular FormulaC22H22ClN3
Molecular Weight363.89 g/mol
Exact Mass363.15
IUPAC Name6-benzyl-4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C22H22ClN3/c1-2-21-24-20-12-13-26(14-16-6-4-3-5-7-16)15-19(20)22(25-21)17-8-10-18(23)11-9-17/h3-11H,2,12-15H2,1H3
InChIKeyYQGSUWMJOSMNKP-UHFFFAOYSA-N
XLogP4.92
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-benzyl-4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 134793357) is 6-benzyl-4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-benzyl-4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-benzyl-4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is YQGSUWMJOSMNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3/c1-2-21-24-20-12-13-26(14-16-6-4-3-5-7-16)15-19(20)22(25-21)17-8-10-18(23)11-9-17/h3-11H,2,12-15H2,1H3.
What are the key properties of 6-benzyl-4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-benzyl-4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 363.89 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 134793357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).