4-(4-chlorophenyl)-2-ethyl-6-(naphthalen-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C26H24ClN3 — CID 134794496

IUPAC4-(4-chlorophenyl)-2-ethyl-6-(naphthalen-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(Cc1cccc3ccccc13)CC2
InChIInChI=1S/C26H24ClN3/c1-2-25-28-24-14-15-30(16-20-8-5-7-18-6-3-4-9-22(18)20)17-23(24)26(29-25)19-10-12-21(27)13-11-19/h3-13H,2,14-17H2,1H3
InChIKeyGOGRDHRFIXHHPT-UHFFFAOYSA-N
MW413.95 g/mol
LogP6.07
Rot. Bonds4

About 4-(4-chlorophenyl)-2-ethyl-6-(naphthalen-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

4-(4-chlorophenyl)-2-ethyl-6-(naphthalen-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 134794496) has the molecular formula C26H24ClN3 and a molecular weight of 413.95 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-ethyl-6-(naphthalen-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-ethyl-6-(naphthalen-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID134794496
Molecular FormulaC26H24ClN3
Molecular Weight413.95 g/mol
Exact Mass413.17
IUPAC Name4-(4-chlorophenyl)-2-ethyl-6-(naphthalen-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(Cc1cccc3ccccc13)CC2
InChIInChI=1S/C26H24ClN3/c1-2-25-28-24-14-15-30(16-20-8-5-7-18-6-3-4-9-22(18)20)17-23(24)26(29-25)19-10-12-21(27)13-11-19/h3-13H,2,14-17H2,1H3
InChIKeyGOGRDHRFIXHHPT-UHFFFAOYSA-N
XLogP6.07
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.95
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-chlorophenyl)-2-ethyl-6-(naphthalen-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-ethyl-6-(naphthalen-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-2-ethyl-6-(naphthalen-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 134794496) is 4-(4-chlorophenyl)-2-ethyl-6-(naphthalen-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-ethyl-6-(naphthalen-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-2-ethyl-6-(naphthalen-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(Cc1cccc3ccccc13)CC2.
What is the InChIKey of 4-(4-chlorophenyl)-2-ethyl-6-(naphthalen-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is GOGRDHRFIXHHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3/c1-2-25-28-24-14-15-30(16-20-8-5-7-18-6-3-4-9-22(18)20)17-23(24)26(29-25)19-10-12-21(27)13-11-19/h3-13H,2,14-17H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-ethyl-6-(naphthalen-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-(4-chlorophenyl)-2-ethyl-6-(naphthalen-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 413.95 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-ethyl-6-(naphthalen-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 134794496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).