3-(2,6-dimethylphenyl)-2-[(E)-2-(6-methoxy-2-pyridinyl)ethenyl]pyrido[3,4-d]pyrimidin-4-one

C23H20N4O2 — CID 58312305

IUPAC3-(2,6-dimethylphenyl)-2-[(E)-2-(6-methoxy-2-pyridinyl)ethenyl]pyrido[3,4-d]pyrimidin-4-one
SMILESCOc1cccc(/C=C/c2nc3cnccc3c(=O)n2-c2c(C)cccc2C)n1
InChIInChI=1S/C23H20N4O2/c1-15-6-4-7-16(2)22(15)27-20(11-10-17-8-5-9-21(25-17)29-3)26-19-14-24-13-12-18(19)23(27)28/h4-14H,1-3H3/b11-10+
InChIKeyQUDSDDUDXYGBDZ-ZHACJKMWSA-N
MW384.44 g/mol
LogP3.97
Rot. Bonds4

About 3-(2,6-dimethylphenyl)-2-[(E)-2-(6-methoxy-2-pyridinyl)ethenyl]pyrido[3,4-d]pyrimidin-4-one

3-(2,6-dimethylphenyl)-2-[(E)-2-(6-methoxy-2-pyridinyl)ethenyl]pyrido[3,4-d]pyrimidin-4-one (PubChem CID 58312305) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-2-[(E)-2-(6-methoxy-2-pyridinyl)ethenyl]pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-2-[(E)-2-(6-methoxy-2-pyridinyl)ethenyl]pyrido[3,4-d]pyrimidin-4-one
PubChem CID58312305
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name3-(2,6-dimethylphenyl)-2-[(E)-2-(6-methoxy-2-pyridinyl)ethenyl]pyrido[3,4-d]pyrimidin-4-one
SMILESCOc1cccc(/C=C/c2nc3cnccc3c(=O)n2-c2c(C)cccc2C)n1
InChIInChI=1S/C23H20N4O2/c1-15-6-4-7-16(2)22(15)27-20(11-10-17-8-5-9-21(25-17)29-3)26-19-14-24-13-12-18(19)23(27)28/h4-14H,1-3H3/b11-10+
InChIKeyQUDSDDUDXYGBDZ-ZHACJKMWSA-N
XLogP3.97
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-2-[(E)-2-(6-methoxy-2-pyridinyl)ethenyl]pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-(2,6-dimethylphenyl)-2-[(E)-2-(6-methoxy-2-pyridinyl)ethenyl]pyrido[3,4-d]pyrimidin-4-one (CID 58312305) is 3-(2,6-dimethylphenyl)-2-[(E)-2-(6-methoxy-2-pyridinyl)ethenyl]pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-2-[(E)-2-(6-methoxy-2-pyridinyl)ethenyl]pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(2,6-dimethylphenyl)-2-[(E)-2-(6-methoxy-2-pyridinyl)ethenyl]pyrido[3,4-d]pyrimidin-4-one is COc1cccc(/C=C/c2nc3cnccc3c(=O)n2-c2c(C)cccc2C)n1.
What is the InChIKey of 3-(2,6-dimethylphenyl)-2-[(E)-2-(6-methoxy-2-pyridinyl)ethenyl]pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is QUDSDDUDXYGBDZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-15-6-4-7-16(2)22(15)27-20(11-10-17-8-5-9-21(25-17)29-3)26-19-14-24-13-12-18(19)23(27)28/h4-14H,1-3H3/b11-10+.
What are the key properties of 3-(2,6-dimethylphenyl)-2-[(E)-2-(6-methoxy-2-pyridinyl)ethenyl]pyrido[3,4-d]pyrimidin-4-one?
3-(2,6-dimethylphenyl)-2-[(E)-2-(6-methoxy-2-pyridinyl)ethenyl]pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 384.44 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-2-[(E)-2-(6-methoxy-2-pyridinyl)ethenyl]pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 58312305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).