3-benzhydryl-2-methyl-7-(2-morpholin-4-ylacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

C27H30N4O3 — CID 59415182

IUPAC3-benzhydryl-2-methyl-7-(2-morpholin-4-ylacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)CN1CCOCC1)C2
InChIInChI=1S/C27H30N4O3/c1-20-28-24-18-30(25(32)19-29-14-16-34-17-15-29)13-12-23(24)27(33)31(20)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,26H,12-19H2,1H3
InChIKeyCDHKBMKONNUCBC-UHFFFAOYSA-N
MW458.56 g/mol
LogP2.41
Rot. Bonds5

About 3-benzhydryl-2-methyl-7-(2-morpholin-4-ylacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

3-benzhydryl-2-methyl-7-(2-morpholin-4-ylacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 59415182) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 3-benzhydryl-2-methyl-7-(2-morpholin-4-ylacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-benzhydryl-2-methyl-7-(2-morpholin-4-ylacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID59415182
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name3-benzhydryl-2-methyl-7-(2-morpholin-4-ylacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)CN1CCOCC1)C2
InChIInChI=1S/C27H30N4O3/c1-20-28-24-18-30(25(32)19-29-14-16-34-17-15-29)13-12-23(24)27(33)31(20)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,26H,12-19H2,1H3
InChIKeyCDHKBMKONNUCBC-UHFFFAOYSA-N
XLogP2.41
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-2-methyl-7-(2-morpholin-4-ylacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-benzhydryl-2-methyl-7-(2-morpholin-4-ylacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 59415182) is 3-benzhydryl-2-methyl-7-(2-morpholin-4-ylacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-benzhydryl-2-methyl-7-(2-morpholin-4-ylacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-benzhydryl-2-methyl-7-(2-morpholin-4-ylacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)CN1CCOCC1)C2.
What is the InChIKey of 3-benzhydryl-2-methyl-7-(2-morpholin-4-ylacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is CDHKBMKONNUCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-20-28-24-18-30(25(32)19-29-14-16-34-17-15-29)13-12-23(24)27(33)31(20)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,26H,12-19H2,1H3.
What are the key properties of 3-benzhydryl-2-methyl-7-(2-morpholin-4-ylacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
3-benzhydryl-2-methyl-7-(2-morpholin-4-ylacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 458.56 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-2-methyl-7-(2-morpholin-4-ylacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 59415182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).