3-[[3-(1-methylindol-6-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one

C23H18N4O — CID 121275745

IUPAC3-[[3-(1-methylindol-6-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one
SMILESCn1ccc2ccc(-c3cccc(Cn4cnc5cnccc5c4=O)c3)cc21
InChIInChI=1S/C23H18N4O/c1-26-10-8-17-5-6-19(12-22(17)26)18-4-2-3-16(11-18)14-27-15-25-21-13-24-9-7-20(21)23(27)28/h2-13,15H,14H2,1H3
InChIKeyMCTDOSYAPWJKST-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.00
Rot. Bonds3

About 3-[[3-(1-methylindol-6-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one

3-[[3-(1-methylindol-6-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one (PubChem CID 121275745) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-[[3-(1-methylindol-6-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[3-(1-methylindol-6-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one
PubChem CID121275745
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name3-[[3-(1-methylindol-6-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one
SMILESCn1ccc2ccc(-c3cccc(Cn4cnc5cnccc5c4=O)c3)cc21
InChIInChI=1S/C23H18N4O/c1-26-10-8-17-5-6-19(12-22(17)26)18-4-2-3-16(11-18)14-27-15-25-21-13-24-9-7-20(21)23(27)28/h2-13,15H,14H2,1H3
InChIKeyMCTDOSYAPWJKST-UHFFFAOYSA-N
XLogP4.00
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1-methylindol-6-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[[3-(1-methylindol-6-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one (CID 121275745) is 3-[[3-(1-methylindol-6-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[3-(1-methylindol-6-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[[3-(1-methylindol-6-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one is Cn1ccc2ccc(-c3cccc(Cn4cnc5cnccc5c4=O)c3)cc21.
What is the InChIKey of 3-[[3-(1-methylindol-6-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is MCTDOSYAPWJKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-26-10-8-17-5-6-19(12-22(17)26)18-4-2-3-16(11-18)14-27-15-25-21-13-24-9-7-20(21)23(27)28/h2-13,15H,14H2,1H3.
What are the key properties of 3-[[3-(1-methylindol-6-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one?
3-[[3-(1-methylindol-6-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 366.42 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1-methylindol-6-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 121275745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).