7-(3,4-dichlorobenzoyl)-3-(2-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

C25H24Cl2N4O4 — CID 155113260

IUPAC7-(3,4-dichlorobenzoyl)-3-(2-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCOc1ccccc1-n1c(N2CCOCC2)nc2c(c1=O)CCN(C(=O)c1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C25H24Cl2N4O4/c1-34-22-5-3-2-4-21(22)31-24(33)17-8-9-30(23(32)16-6-7-18(26)19(27)14-16)15-20(17)28-25(31)29-10-12-35-13-11-29/h2-7,14H,8-13,15H2,1H3
InChIKeyREGGHDXGTBSWIX-UHFFFAOYSA-N
MW515.40 g/mol
LogP3.58
Rot. Bonds4

About 7-(3,4-dichlorobenzoyl)-3-(2-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

7-(3,4-dichlorobenzoyl)-3-(2-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 155113260) has the molecular formula C25H24Cl2N4O4 and a molecular weight of 515.40 g/mol. Its IUPAC name is 7-(3,4-dichlorobenzoyl)-3-(2-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3,4-dichlorobenzoyl)-3-(2-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID155113260
Molecular FormulaC25H24Cl2N4O4
Molecular Weight515.40 g/mol
Exact Mass514.12
IUPAC Name7-(3,4-dichlorobenzoyl)-3-(2-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCOc1ccccc1-n1c(N2CCOCC2)nc2c(c1=O)CCN(C(=O)c1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C25H24Cl2N4O4/c1-34-22-5-3-2-4-21(22)31-24(33)17-8-9-30(23(32)16-6-7-18(26)19(27)14-16)15-20(17)28-25(31)29-10-12-35-13-11-29/h2-7,14H,8-13,15H2,1H3
InChIKeyREGGHDXGTBSWIX-UHFFFAOYSA-N
XLogP3.58
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.40
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorobenzoyl)-3-(2-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(3,4-dichlorobenzoyl)-3-(2-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 155113260) is 7-(3,4-dichlorobenzoyl)-3-(2-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(3,4-dichlorobenzoyl)-3-(2-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(3,4-dichlorobenzoyl)-3-(2-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is COc1ccccc1-n1c(N2CCOCC2)nc2c(c1=O)CCN(C(=O)c1ccc(Cl)c(Cl)c1)C2.
What is the InChIKey of 7-(3,4-dichlorobenzoyl)-3-(2-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is REGGHDXGTBSWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4O4/c1-34-22-5-3-2-4-21(22)31-24(33)17-8-9-30(23(32)16-6-7-18(26)19(27)14-16)15-20(17)28-25(31)29-10-12-35-13-11-29/h2-7,14H,8-13,15H2,1H3.
What are the key properties of 7-(3,4-dichlorobenzoyl)-3-(2-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
7-(3,4-dichlorobenzoyl)-3-(2-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 515.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorobenzoyl)-3-(2-methoxyphenyl)-2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 155113260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).