3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]benzo[g]quinazolin-4-one

C22H16N4O2 — CID 42935713

IUPAC3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]benzo[g]quinazolin-4-one
SMILESCc1ccc2nc(Cn3cnc4cc5ccccc5cc4c3=O)cc(=O)n2c1
InChIInChI=1S/C22H16N4O2/c1-14-6-7-20-24-17(10-21(27)26(20)11-14)12-25-13-23-19-9-16-5-3-2-4-15(16)8-18(19)22(25)28/h2-11,13H,12H2,1H3
InChIKeyMKKQFPPUPWAFCR-UHFFFAOYSA-N
MW368.40 g/mol
LogP2.91
Rot. Bonds2

About 3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]benzo[g]quinazolin-4-one

3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]benzo[g]quinazolin-4-one (PubChem CID 42935713) has the molecular formula C22H16N4O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]benzo[g]quinazolin-4-one.

Molecular Properties

Compound Name3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]benzo[g]quinazolin-4-one
PubChem CID42935713
Molecular FormulaC22H16N4O2
Molecular Weight368.40 g/mol
Exact Mass368.13
IUPAC Name3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]benzo[g]quinazolin-4-one
SMILESCc1ccc2nc(Cn3cnc4cc5ccccc5cc4c3=O)cc(=O)n2c1
InChIInChI=1S/C22H16N4O2/c1-14-6-7-20-24-17(10-21(27)26(20)11-14)12-25-13-23-19-9-16-5-3-2-4-15(16)8-18(19)22(25)28/h2-11,13H,12H2,1H3
InChIKeyMKKQFPPUPWAFCR-UHFFFAOYSA-N
XLogP2.91
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]benzo[g]quinazolin-4-one?
The IUPAC name of 3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]benzo[g]quinazolin-4-one (CID 42935713) is 3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]benzo[g]quinazolin-4-one.
What is the SMILES notation for 3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]benzo[g]quinazolin-4-one?
The canonical SMILES for 3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]benzo[g]quinazolin-4-one is Cc1ccc2nc(Cn3cnc4cc5ccccc5cc4c3=O)cc(=O)n2c1.
What is the InChIKey of 3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]benzo[g]quinazolin-4-one?
The InChIKey is MKKQFPPUPWAFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2/c1-14-6-7-20-24-17(10-21(27)26(20)11-14)12-25-13-23-19-9-16-5-3-2-4-15(16)8-18(19)22(25)28/h2-11,13H,12H2,1H3.
What are the key properties of 3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]benzo[g]quinazolin-4-one?
3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]benzo[g]quinazolin-4-one has a molecular weight of 368.40 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]benzo[g]quinazolin-4-one is sourced from PubChem (CID 42935713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).