7-methyl-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one

C24H24N4O2 — CID 46353124

IUPAC7-methyl-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
SMILESCc1ccccc1-c1nc(Cn2cnc3nc4c(cc3c2=O)CC(C)CC4)c(C)o1
InChIInChI=1S/C24H24N4O2/c1-14-8-9-20-17(10-14)11-19-22(26-20)25-13-28(24(19)29)12-21-16(3)30-23(27-21)18-7-5-4-6-15(18)2/h4-7,11,13-14H,8-10,12H2,1-3H3
InChIKeyXYWMBVCZJKGILA-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.24
Rot. Bonds3

About 7-methyl-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one

7-methyl-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one (PubChem CID 46353124) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 7-methyl-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one.

Molecular Properties

Compound Name7-methyl-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
PubChem CID46353124
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name7-methyl-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
SMILESCc1ccccc1-c1nc(Cn2cnc3nc4c(cc3c2=O)CC(C)CC4)c(C)o1
InChIInChI=1S/C24H24N4O2/c1-14-8-9-20-17(10-14)11-19-22(26-20)25-13-28(24(19)29)12-21-16(3)30-23(27-21)18-7-5-4-6-15(18)2/h4-7,11,13-14H,8-10,12H2,1-3H3
InChIKeyXYWMBVCZJKGILA-UHFFFAOYSA-N
XLogP4.24
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one?
The IUPAC name of 7-methyl-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one (CID 46353124) is 7-methyl-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one.
What is the SMILES notation for 7-methyl-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one?
The canonical SMILES for 7-methyl-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one is Cc1ccccc1-c1nc(Cn2cnc3nc4c(cc3c2=O)CC(C)CC4)c(C)o1.
What is the InChIKey of 7-methyl-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one?
The InChIKey is XYWMBVCZJKGILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-14-8-9-20-17(10-14)11-19-22(26-20)25-13-28(24(19)29)12-21-16(3)30-23(27-21)18-7-5-4-6-15(18)2/h4-7,11,13-14H,8-10,12H2,1-3H3.
What are the key properties of 7-methyl-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one?
7-methyl-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one has a molecular weight of 400.48 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one is sourced from PubChem (CID 46353124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).