2-(4-chlorophenyl)-6-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C24H18Cl3N3O — CID 24910899

IUPAC2-(4-chlorophenyl)-6-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1ccc(-c2ncc3c(n2)CCN(Cc2ccc(-c4ccc(Cl)c(Cl)c4)o2)C3)cc1
InChIInChI=1S/C24H18Cl3N3O/c25-18-4-1-15(2-5-18)24-28-12-17-13-30(10-9-22(17)29-24)14-19-6-8-23(31-19)16-3-7-20(26)21(27)11-16/h1-8,11-12H,9-10,13-14H2
InChIKeyVDMUDLKJBJVCJU-UHFFFAOYSA-N
MW470.79 g/mol
LogP6.92
Rot. Bonds4

About 2-(4-chlorophenyl)-6-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-(4-chlorophenyl)-6-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24910899) has the molecular formula C24H18Cl3N3O and a molecular weight of 470.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24910899
Molecular FormulaC24H18Cl3N3O
Molecular Weight470.79 g/mol
Exact Mass469.05
IUPAC Name2-(4-chlorophenyl)-6-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1ccc(-c2ncc3c(n2)CCN(Cc2ccc(-c4ccc(Cl)c(Cl)c4)o2)C3)cc1
InChIInChI=1S/C24H18Cl3N3O/c25-18-4-1-15(2-5-18)24-28-12-17-13-30(10-9-22(17)29-24)14-19-6-8-23(31-19)16-3-7-20(26)21(27)11-16/h1-8,11-12H,9-10,13-14H2
InChIKeyVDMUDLKJBJVCJU-UHFFFAOYSA-N
XLogP6.92
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.79
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910594
4-[6-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24909993
6-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910915
6-[(4-bromofuran-2-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911088
6-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909986
6-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910914
2-(4-chlorophenyl)-6-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928899
6-[(5-phenylfuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911839
3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-phenyl-1,2-oxazole
CID 24916149
2-(4-chlorophenyl)-6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930012
2-(4-chlorophenyl)-6-[(5-chlorothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909324
6-[(5-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913188

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(4-chlorophenyl)-6-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24910899) is 2-(4-chlorophenyl)-6-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(4-chlorophenyl)-6-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(4-chlorophenyl)-6-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Clc1ccc(-c2ncc3c(n2)CCN(Cc2ccc(-c4ccc(Cl)c(Cl)c4)o2)C3)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-6-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is VDMUDLKJBJVCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl3N3O/c25-18-4-1-15(2-5-18)24-28-12-17-13-30(10-9-22(17)29-24)14-19-6-8-23(31-19)16-3-7-20(26)21(27)11-16/h1-8,11-12H,9-10,13-14H2.
What are the key properties of 2-(4-chlorophenyl)-6-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-(4-chlorophenyl)-6-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 470.79 g/mol, XLogP of 6.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24910899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).