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

C23H23Cl2N3O2 — CID 155548290

IUPAC6-[(3-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCCn1c2c(c(=O)n(Cc3ccc(Cl)cc3)c1=O)CN(Cc1cccc(Cl)c1)CC2
InChIInChI=1S/C23H23Cl2N3O2/c1-2-27-21-10-11-26(13-17-4-3-5-19(25)12-17)15-20(21)22(29)28(23(27)30)14-16-6-8-18(24)9-7-16/h3-9,12H,2,10-11,13-15H2,1H3
InChIKeyTYNSCWWAACZQFM-UHFFFAOYSA-N
MW444.36 g/mol
LogP3.94
Rot. Bonds5

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

6-[(3-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 155548290) has the molecular formula C23H23Cl2N3O2 and a molecular weight of 444.36 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID155548290
Molecular FormulaC23H23Cl2N3O2
Molecular Weight444.36 g/mol
Exact Mass443.12
IUPAC Name6-[(3-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCCn1c2c(c(=O)n(Cc3ccc(Cl)cc3)c1=O)CN(Cc1cccc(Cl)c1)CC2
InChIInChI=1S/C23H23Cl2N3O2/c1-2-27-21-10-11-26(13-17-4-3-5-19(25)12-17)15-20(21)22(29)28(23(27)30)14-16-6-8-18(24)9-7-16/h3-9,12H,2,10-11,13-15H2,1H3
InChIKeyTYNSCWWAACZQFM-UHFFFAOYSA-N
XLogP3.94
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[(3-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione (CID 155548290) is 6-[(3-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[(3-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione is CCn1c2c(c(=O)n(Cc3ccc(Cl)cc3)c1=O)CN(Cc1cccc(Cl)c1)CC2.
What is the InChIKey of 6-[(3-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is TYNSCWWAACZQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O2/c1-2-27-21-10-11-26(13-17-4-3-5-19(25)12-17)15-20(21)22(29)28(23(27)30)14-16-6-8-18(24)9-7-16/h3-9,12H,2,10-11,13-15H2,1H3.
What are the key properties of 6-[(3-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione?
6-[(3-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 444.36 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]-1-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 155548290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).