ethyl 2-amino-7,9-dimethyl-4-oxo-5,6-dihydro-3H-pyrrolo[2,3-h]quinazoline-8-carboxylate

C15H18N4O3 — CID 135473622

IUPACethyl 2-amino-7,9-dimethyl-4-oxo-5,6-dihydro-3H-pyrrolo[2,3-h]quinazoline-8-carboxylate
SMILESCCOC(=O)c1c(C)c2c(n1C)CCc1c-2nc(N)[nH]c1=O
InChIInChI=1S/C15H18N4O3/c1-4-22-14(21)12-7(2)10-9(19(12)3)6-5-8-11(10)17-15(16)18-13(8)20/h4-6H2,1-3H3,(H3,16,17,18,20)
InChIKeyYVMFQTSKYRJBJZ-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.94
Rot. Bonds2

About ethyl 2-amino-7,9-dimethyl-4-oxo-5,6-dihydro-3H-pyrrolo[2,3-h]quinazoline-8-carboxylate

ethyl 2-amino-7,9-dimethyl-4-oxo-5,6-dihydro-3H-pyrrolo[2,3-h]quinazoline-8-carboxylate (PubChem CID 135473622) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 2-amino-7,9-dimethyl-4-oxo-5,6-dihydro-3H-pyrrolo[2,3-h]quinazoline-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-7,9-dimethyl-4-oxo-5,6-dihydro-3H-pyrrolo[2,3-h]quinazoline-8-carboxylate
PubChem CID135473622
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Nameethyl 2-amino-7,9-dimethyl-4-oxo-5,6-dihydro-3H-pyrrolo[2,3-h]quinazoline-8-carboxylate
SMILESCCOC(=O)c1c(C)c2c(n1C)CCc1c-2nc(N)[nH]c1=O
InChIInChI=1S/C15H18N4O3/c1-4-22-14(21)12-7(2)10-9(19(12)3)6-5-8-11(10)17-15(16)18-13(8)20/h4-6H2,1-3H3,(H3,16,17,18,20)
InChIKeyYVMFQTSKYRJBJZ-UHFFFAOYSA-N
XLogP0.94
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-amino-7,9-dimethyl-4-oxo-5,6-dihydro-3H-pyrrolo[2,3-h]quinazoline-8-carboxylate with MolForge

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Related Compounds

ethyl 1,3-dimethyl-4-oxo-7H-thiopyrano[3,4-b]pyrrole-2-carboxylate
CID 54613701
ethyl 2-amino-4-oxo-3,7-dihydropyrimido[4,5-b][1,4]oxazine-6-carboxylate
CID 12569380
ethyl 3,5-dimethyl-2,6-dioxo-1,3-oxazine-4-carboxylate
CID 565865
ethyl 8,9-dimethyl-2-oxo-5,6-dihydro-1H-pyrrolo[3,4-h]quinazoline-7-carboxylate
CID 54613663
ethyl 6-(1-methylpiperidin-4-yl)-3-oxo-1,2,4,5-tetrahydropyrazolo[3,4-e]indazole-8-carboxylate
CID 110458476
2-amino-3,5,6,7-tetrahydropyrido[3,4-d]pyrimidine-4,8-dione
CID 170508633
ethyl 5-methyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate
CID 10584131
ethyl 5-hydroxy-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 83854577
ethyl 6-methyl-7-oxo-2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 134863844
ethyl 5,6,7,8-tetramethyl-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate
CID 20812265
ethyl 5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate
CID 136655437
ethyl 4-[(5-ethoxycarbonyl-1,2,4-trimethylpyrrol-3-yl)carbamoylamino]-1,3,5-trimethylpyrrole-2-carboxylate
CID 607270

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-7,9-dimethyl-4-oxo-5,6-dihydro-3H-pyrrolo[2,3-h]quinazoline-8-carboxylate?
The IUPAC name of ethyl 2-amino-7,9-dimethyl-4-oxo-5,6-dihydro-3H-pyrrolo[2,3-h]quinazoline-8-carboxylate (CID 135473622) is ethyl 2-amino-7,9-dimethyl-4-oxo-5,6-dihydro-3H-pyrrolo[2,3-h]quinazoline-8-carboxylate.
What is the SMILES notation for ethyl 2-amino-7,9-dimethyl-4-oxo-5,6-dihydro-3H-pyrrolo[2,3-h]quinazoline-8-carboxylate?
The canonical SMILES for ethyl 2-amino-7,9-dimethyl-4-oxo-5,6-dihydro-3H-pyrrolo[2,3-h]quinazoline-8-carboxylate is CCOC(=O)c1c(C)c2c(n1C)CCc1c-2nc(N)[nH]c1=O.
What is the InChIKey of ethyl 2-amino-7,9-dimethyl-4-oxo-5,6-dihydro-3H-pyrrolo[2,3-h]quinazoline-8-carboxylate?
The InChIKey is YVMFQTSKYRJBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-4-22-14(21)12-7(2)10-9(19(12)3)6-5-8-11(10)17-15(16)18-13(8)20/h4-6H2,1-3H3,(H3,16,17,18,20).
What are the key properties of ethyl 2-amino-7,9-dimethyl-4-oxo-5,6-dihydro-3H-pyrrolo[2,3-h]quinazoline-8-carboxylate?
ethyl 2-amino-7,9-dimethyl-4-oxo-5,6-dihydro-3H-pyrrolo[2,3-h]quinazoline-8-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-7,9-dimethyl-4-oxo-5,6-dihydro-3H-pyrrolo[2,3-h]quinazoline-8-carboxylate is sourced from PubChem (CID 135473622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).