ethyl 2-amino-8-[(4-methoxyphenyl)methyl]-9-methyl-5,6-dihydropyrrolo[3,4-h]quinazoline-7-carboxylate

C22H24N4O3 — CID 54613458

IUPACethyl 2-amino-8-[(4-methoxyphenyl)methyl]-9-methyl-5,6-dihydropyrrolo[3,4-h]quinazoline-7-carboxylate
SMILESCCOC(=O)c1c2c(c(C)n1Cc1ccc(OC)cc1)-c1nc(N)ncc1CC2
InChIInChI=1S/C22H24N4O3/c1-4-29-21(27)20-17-10-7-15-11-24-22(23)25-19(15)18(17)13(2)26(20)12-14-5-8-16(28-3)9-6-14/h5-6,8-9,11H,4,7,10,12H2,1-3H3,(H2,23,24,25)
InChIKeyPDIJUAKOQVOVQB-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.17
Rot. Bonds5

About ethyl 2-amino-8-[(4-methoxyphenyl)methyl]-9-methyl-5,6-dihydropyrrolo[3,4-h]quinazoline-7-carboxylate

ethyl 2-amino-8-[(4-methoxyphenyl)methyl]-9-methyl-5,6-dihydropyrrolo[3,4-h]quinazoline-7-carboxylate (PubChem CID 54613458) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is ethyl 2-amino-8-[(4-methoxyphenyl)methyl]-9-methyl-5,6-dihydropyrrolo[3,4-h]quinazoline-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-8-[(4-methoxyphenyl)methyl]-9-methyl-5,6-dihydropyrrolo[3,4-h]quinazoline-7-carboxylate
PubChem CID54613458
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Nameethyl 2-amino-8-[(4-methoxyphenyl)methyl]-9-methyl-5,6-dihydropyrrolo[3,4-h]quinazoline-7-carboxylate
SMILESCCOC(=O)c1c2c(c(C)n1Cc1ccc(OC)cc1)-c1nc(N)ncc1CC2
InChIInChI=1S/C22H24N4O3/c1-4-29-21(27)20-17-10-7-15-11-24-22(23)25-19(15)18(17)13(2)26(20)12-14-5-8-16(28-3)9-6-14/h5-6,8-9,11H,4,7,10,12H2,1-3H3,(H2,23,24,25)
InChIKeyPDIJUAKOQVOVQB-UHFFFAOYSA-N
XLogP3.17
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-amino-8-[(4-methoxyphenyl)methyl]-9-methyl-5,6-dihydropyrrolo[3,4-h]quinazoline-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 8-[(4-methoxyphenyl)methyl]-9-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3,7-dicarboxylate
CID 44582495
ethyl 7-benzyl-8-methyl-4,5-dihydro-1H-pyrrolo[3,4-g]indazole-6-carboxylate
CID 54613067
ethyl 4-methoxy-6-[(4-methoxyphenyl)methyl]-5-oxo-7,8-dihydro-2,6-naphthyridine-1-carboxylate
CID 67515740
ethyl 5-amino-2-(2-ethoxy-2-oxoethyl)-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
CID 1206883
diethyl 8-benzyl-9-methyl-2-oxo-5,6-dihydropyrano[2,3-e]isoindole-3,7-dicarboxylate
CID 25256805
ethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
CID 12666140
ethyl 5-benzamido-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-2-carboxylate
CID 102333626
ethyl 1,5-bis[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26223172
ethyl 1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,5-naphthyridine-3-carboxylate
CID 143011204
ethyl 2-benzyl-8-methyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate
CID 70033243
ethyl (4aR,8aR)-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4,4a,5,6,8a-hexahydroquinoline-7-carboxylate
CID 56954559
ethyl 4-amino-9-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-b]indole-3-carboxylate
CID 86744180

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-8-[(4-methoxyphenyl)methyl]-9-methyl-5,6-dihydropyrrolo[3,4-h]quinazoline-7-carboxylate?
The IUPAC name of ethyl 2-amino-8-[(4-methoxyphenyl)methyl]-9-methyl-5,6-dihydropyrrolo[3,4-h]quinazoline-7-carboxylate (CID 54613458) is ethyl 2-amino-8-[(4-methoxyphenyl)methyl]-9-methyl-5,6-dihydropyrrolo[3,4-h]quinazoline-7-carboxylate.
What is the SMILES notation for ethyl 2-amino-8-[(4-methoxyphenyl)methyl]-9-methyl-5,6-dihydropyrrolo[3,4-h]quinazoline-7-carboxylate?
The canonical SMILES for ethyl 2-amino-8-[(4-methoxyphenyl)methyl]-9-methyl-5,6-dihydropyrrolo[3,4-h]quinazoline-7-carboxylate is CCOC(=O)c1c2c(c(C)n1Cc1ccc(OC)cc1)-c1nc(N)ncc1CC2.
What is the InChIKey of ethyl 2-amino-8-[(4-methoxyphenyl)methyl]-9-methyl-5,6-dihydropyrrolo[3,4-h]quinazoline-7-carboxylate?
The InChIKey is PDIJUAKOQVOVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-4-29-21(27)20-17-10-7-15-11-24-22(23)25-19(15)18(17)13(2)26(20)12-14-5-8-16(28-3)9-6-14/h5-6,8-9,11H,4,7,10,12H2,1-3H3,(H2,23,24,25).
What are the key properties of ethyl 2-amino-8-[(4-methoxyphenyl)methyl]-9-methyl-5,6-dihydropyrrolo[3,4-h]quinazoline-7-carboxylate?
ethyl 2-amino-8-[(4-methoxyphenyl)methyl]-9-methyl-5,6-dihydropyrrolo[3,4-h]quinazoline-7-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-8-[(4-methoxyphenyl)methyl]-9-methyl-5,6-dihydropyrrolo[3,4-h]quinazoline-7-carboxylate is sourced from PubChem (CID 54613458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).