ethyl 2-methyl-4-oxo-3,11b-dihydropyrimido[1,6-c]quinazoline-1-carboxylate

C15H15N3O3 — CID 102048993

IUPACethyl 2-methyl-4-oxo-3,11b-dihydropyrimido[1,6-c]quinazoline-1-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)N2C=Nc3ccccc3C12
InChIInChI=1S/C15H15N3O3/c1-3-21-14(19)12-9(2)17-15(20)18-8-16-11-7-5-4-6-10(11)13(12)18/h4-8,13H,3H2,1-2H3,(H,17,20)
InChIKeyPHSHQBPSIWYSGV-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.26
Rot. Bonds2

About ethyl 2-methyl-4-oxo-3,11b-dihydropyrimido[1,6-c]quinazoline-1-carboxylate

ethyl 2-methyl-4-oxo-3,11b-dihydropyrimido[1,6-c]quinazoline-1-carboxylate (PubChem CID 102048993) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is ethyl 2-methyl-4-oxo-3,11b-dihydropyrimido[1,6-c]quinazoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-oxo-3,11b-dihydropyrimido[1,6-c]quinazoline-1-carboxylate
PubChem CID102048993
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Nameethyl 2-methyl-4-oxo-3,11b-dihydropyrimido[1,6-c]quinazoline-1-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)N2C=Nc3ccccc3C12
InChIInChI=1S/C15H15N3O3/c1-3-21-14(19)12-9(2)17-15(20)18-8-16-11-7-5-4-6-10(11)13(12)18/h4-8,13H,3H2,1-2H3,(H,17,20)
InChIKeyPHSHQBPSIWYSGV-UHFFFAOYSA-N
XLogP2.26
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methyl-4,6-dioxo-3,12b-dihydropyrimido[6,1-a][2]benzazepine-1-carboxylate
CID 11709391
diethyl 4-(2-aminophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 13374598
ethyl 3-acetyl-4-(2-chlorophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate
CID 2853358
ethyl 4-hydroxy-2-methyl-1,4-dihydroquinoline-3-carboxylate
CID 140989258
ethyl 5-methyl-7-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2914581
ethyl (4R)-4-(2-chlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 7307565
ethyl (7S)-5-methyl-7-(2-methylphenyl)-2-methylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 136761695
ethyl 4-(2-chlorophenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 4860234
ethyl 11-chloro-2-methyl-4,7-dioxo-6,11b-dihydro-3H-pyrimido[6,1-a]isoquinoline-1-carboxylate
CID 56838344
ethyl (7R)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 693432
diethyl 4-benzhydryl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 13001830
ethyl (7R)-2-ethylsulfanyl-5-methyl-7-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 136761696

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-oxo-3,11b-dihydropyrimido[1,6-c]quinazoline-1-carboxylate?
The IUPAC name of ethyl 2-methyl-4-oxo-3,11b-dihydropyrimido[1,6-c]quinazoline-1-carboxylate (CID 102048993) is ethyl 2-methyl-4-oxo-3,11b-dihydropyrimido[1,6-c]quinazoline-1-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-oxo-3,11b-dihydropyrimido[1,6-c]quinazoline-1-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-oxo-3,11b-dihydropyrimido[1,6-c]quinazoline-1-carboxylate is CCOC(=O)C1=C(C)NC(=O)N2C=Nc3ccccc3C12.
What is the InChIKey of ethyl 2-methyl-4-oxo-3,11b-dihydropyrimido[1,6-c]quinazoline-1-carboxylate?
The InChIKey is PHSHQBPSIWYSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-3-21-14(19)12-9(2)17-15(20)18-8-16-11-7-5-4-6-10(11)13(12)18/h4-8,13H,3H2,1-2H3,(H,17,20).
What are the key properties of ethyl 2-methyl-4-oxo-3,11b-dihydropyrimido[1,6-c]quinazoline-1-carboxylate?
ethyl 2-methyl-4-oxo-3,11b-dihydropyrimido[1,6-c]quinazoline-1-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-oxo-3,11b-dihydropyrimido[1,6-c]quinazoline-1-carboxylate is sourced from PubChem (CID 102048993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).