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

C23H22N4O2 — CID 46353125

IUPAC7-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
SMILESCc1oc(-c2ccccc2)nc1Cn1cnc2nc3c(cc2c1=O)CC(C)CC3
InChIInChI=1S/C23H22N4O2/c1-14-8-9-19-17(10-14)11-18-21(25-19)24-13-27(23(18)28)12-20-15(2)29-22(26-20)16-6-4-3-5-7-16/h3-7,11,13-14H,8-10,12H2,1-2H3
InChIKeyCLDQTUFZNNBCHK-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.93
Rot. Bonds3

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

7-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one (PubChem CID 46353125) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 7-methyl-3-[(5-methyl-2-phenyl-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-phenyl-1,3-oxazol-4-yl)methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
PubChem CID46353125
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name7-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
SMILESCc1oc(-c2ccccc2)nc1Cn1cnc2nc3c(cc2c1=O)CC(C)CC3
InChIInChI=1S/C23H22N4O2/c1-14-8-9-19-17(10-14)11-18-21(25-19)24-13-27(23(18)28)12-20-15(2)29-22(26-20)16-6-4-3-5-7-16/h3-7,11,13-14H,8-10,12H2,1-2H3
InChIKeyCLDQTUFZNNBCHK-UHFFFAOYSA-N
XLogP3.93
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
3-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-7-methyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
CID 46353136
7-methyl-3-[(2,4,6-trimethylphenyl)methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
CID 46353130
3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-7-nitroquinazolin-4-one
CID 55510572
2-[(7R)-7-methyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 92875714
N-(3-methoxypropyl)-2-[(7R)-7-methyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl]acetamide
CID 92875558
1-cyclopentyl-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione
CID 155977013
9-chloro-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-[1]benzothiolo[3,2-d]pyrimidin-4-one
CID 95920740
1-(3,4-difluorophenyl)-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]pyrazine-2,3-dione
CID 155977246
N-[[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-yl]methyl]hydroxylamine
CID 10807777
5-methyl-4-[(2-methylsulfonylimidazol-1-yl)methyl]-2-phenyl-1,3-oxazole
CID 71981264
3-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one
CID 46353085

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[(5-methyl-2-phenyl-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-phenyl-1,3-oxazol-4-yl)methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one (CID 46353125) is 7-methyl-3-[(5-methyl-2-phenyl-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-phenyl-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-phenyl-1,3-oxazol-4-yl)methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one is Cc1oc(-c2ccccc2)nc1Cn1cnc2nc3c(cc2c1=O)CC(C)CC3.
What is the InChIKey of 7-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one?
The InChIKey is CLDQTUFZNNBCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-14-8-9-19-17(10-14)11-18-21(25-19)24-13-27(23(18)28)12-20-15(2)29-22(26-20)16-6-4-3-5-7-16/h3-7,11,13-14H,8-10,12H2,1-2H3.
What are the key properties of 7-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one?
7-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one has a molecular weight of 386.46 g/mol, XLogP of 3.93, 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-phenyl-1,3-oxazol-4-yl)methyl]-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-one is sourced from PubChem (CID 46353125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).