ethyl 2-amino-9-benzyl-5,6-dihydropyrrolo[3,2-h]quinazoline-8-carboxylate

C20H20N4O2 — CID 53361483

IUPACethyl 2-amino-9-benzyl-5,6-dihydropyrrolo[3,2-h]quinazoline-8-carboxylate
SMILESCCOC(=O)c1cc2c(n1Cc1ccccc1)-c1nc(N)ncc1CC2
InChIInChI=1S/C20H20N4O2/c1-2-26-19(25)16-10-14-8-9-15-11-22-20(21)23-17(15)18(14)24(16)12-13-6-4-3-5-7-13/h3-7,10-11H,2,8-9,12H2,1H3,(H2,21,22,23)
InChIKeyLPVIHAAOPLIFMV-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.85
Rot. Bonds4

About ethyl 2-amino-9-benzyl-5,6-dihydropyrrolo[3,2-h]quinazoline-8-carboxylate

ethyl 2-amino-9-benzyl-5,6-dihydropyrrolo[3,2-h]quinazoline-8-carboxylate (PubChem CID 53361483) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is ethyl 2-amino-9-benzyl-5,6-dihydropyrrolo[3,2-h]quinazoline-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-9-benzyl-5,6-dihydropyrrolo[3,2-h]quinazoline-8-carboxylate
PubChem CID53361483
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Nameethyl 2-amino-9-benzyl-5,6-dihydropyrrolo[3,2-h]quinazoline-8-carboxylate
SMILESCCOC(=O)c1cc2c(n1Cc1ccccc1)-c1nc(N)ncc1CC2
InChIInChI=1S/C20H20N4O2/c1-2-26-19(25)16-10-14-8-9-15-11-22-20(21)23-17(15)18(14)24(16)12-13-6-4-3-5-7-13/h3-7,10-11H,2,8-9,12H2,1H3,(H2,21,22,23)
InChIKeyLPVIHAAOPLIFMV-UHFFFAOYSA-N
XLogP2.85
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-9-benzyl-5,6-dihydropyrrolo[3,2-h]quinazoline-8-carboxylate?
The IUPAC name of ethyl 2-amino-9-benzyl-5,6-dihydropyrrolo[3,2-h]quinazoline-8-carboxylate (CID 53361483) is ethyl 2-amino-9-benzyl-5,6-dihydropyrrolo[3,2-h]quinazoline-8-carboxylate.
What is the SMILES notation for ethyl 2-amino-9-benzyl-5,6-dihydropyrrolo[3,2-h]quinazoline-8-carboxylate?
The canonical SMILES for ethyl 2-amino-9-benzyl-5,6-dihydropyrrolo[3,2-h]quinazoline-8-carboxylate is CCOC(=O)c1cc2c(n1Cc1ccccc1)-c1nc(N)ncc1CC2.
What is the InChIKey of ethyl 2-amino-9-benzyl-5,6-dihydropyrrolo[3,2-h]quinazoline-8-carboxylate?
The InChIKey is LPVIHAAOPLIFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-2-26-19(25)16-10-14-8-9-15-11-22-20(21)23-17(15)18(14)24(16)12-13-6-4-3-5-7-13/h3-7,10-11H,2,8-9,12H2,1H3,(H2,21,22,23).
What are the key properties of ethyl 2-amino-9-benzyl-5,6-dihydropyrrolo[3,2-h]quinazoline-8-carboxylate?
ethyl 2-amino-9-benzyl-5,6-dihydropyrrolo[3,2-h]quinazoline-8-carboxylate has a molecular weight of 348.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-9-benzyl-5,6-dihydropyrrolo[3,2-h]quinazoline-8-carboxylate is sourced from PubChem (CID 53361483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).