methyl 5-amino-9b-phenyl-1,2-dihydrocyclopenta[c]isoquinoline-3-carboxylate

C20H18N2O2 — CID 14737104

IUPACmethyl 5-amino-9b-phenyl-1,2-dihydrocyclopenta[c]isoquinoline-3-carboxylate
SMILESCOC(=O)C1=C2N=C(N)c3ccccc3C2(c2ccccc2)CC1
InChIInChI=1S/C20H18N2O2/c1-24-19(23)15-11-12-20(13-7-3-2-4-8-13)16-10-6-5-9-14(16)18(21)22-17(15)20/h2-10H,11-12H2,1H3,(H2,21,22)
InChIKeyXIZUOGIMZPAVGE-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.91
Rot. Bonds2

About methyl 5-amino-9b-phenyl-1,2-dihydrocyclopenta[c]isoquinoline-3-carboxylate

methyl 5-amino-9b-phenyl-1,2-dihydrocyclopenta[c]isoquinoline-3-carboxylate (PubChem CID 14737104) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is methyl 5-amino-9b-phenyl-1,2-dihydrocyclopenta[c]isoquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-9b-phenyl-1,2-dihydrocyclopenta[c]isoquinoline-3-carboxylate
PubChem CID14737104
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Namemethyl 5-amino-9b-phenyl-1,2-dihydrocyclopenta[c]isoquinoline-3-carboxylate
SMILESCOC(=O)C1=C2N=C(N)c3ccccc3C2(c2ccccc2)CC1
InChIInChI=1S/C20H18N2O2/c1-24-19(23)15-11-12-20(13-7-3-2-4-8-13)16-10-6-5-9-14(16)18(21)22-17(15)20/h2-10H,11-12H2,1H3,(H2,21,22)
InChIKeyXIZUOGIMZPAVGE-UHFFFAOYSA-N
XLogP2.91
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-9b-phenyl-1,2-dihydrocyclopenta[c]isoquinoline-3-carboxylate?
The IUPAC name of methyl 5-amino-9b-phenyl-1,2-dihydrocyclopenta[c]isoquinoline-3-carboxylate (CID 14737104) is methyl 5-amino-9b-phenyl-1,2-dihydrocyclopenta[c]isoquinoline-3-carboxylate.
What is the SMILES notation for methyl 5-amino-9b-phenyl-1,2-dihydrocyclopenta[c]isoquinoline-3-carboxylate?
The canonical SMILES for methyl 5-amino-9b-phenyl-1,2-dihydrocyclopenta[c]isoquinoline-3-carboxylate is COC(=O)C1=C2N=C(N)c3ccccc3C2(c2ccccc2)CC1.
What is the InChIKey of methyl 5-amino-9b-phenyl-1,2-dihydrocyclopenta[c]isoquinoline-3-carboxylate?
The InChIKey is XIZUOGIMZPAVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-24-19(23)15-11-12-20(13-7-3-2-4-8-13)16-10-6-5-9-14(16)18(21)22-17(15)20/h2-10H,11-12H2,1H3,(H2,21,22).
What are the key properties of methyl 5-amino-9b-phenyl-1,2-dihydrocyclopenta[c]isoquinoline-3-carboxylate?
methyl 5-amino-9b-phenyl-1,2-dihydrocyclopenta[c]isoquinoline-3-carboxylate has a molecular weight of 318.38 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-9b-phenyl-1,2-dihydrocyclopenta[c]isoquinoline-3-carboxylate is sourced from PubChem (CID 14737104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).