8-amino-2-methyl-5-phenyl-N-phenylmethoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide

C24H25N3O2 — CID 59647390

IUPAC8-amino-2-methyl-5-phenyl-N-phenylmethoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESCN1CCc2c(-c3ccccc3)cc(C(=O)NOCc3ccccc3)c(N)c2C1
InChIInChI=1S/C24H25N3O2/c1-27-13-12-19-20(18-10-6-3-7-11-18)14-21(23(25)22(19)15-27)24(28)26-29-16-17-8-4-2-5-9-17/h2-11,14H,12-13,15-16,25H2,1H3,(H,26,28)
InChIKeyIVLFXZMDUQYDHS-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.79
Rot. Bonds5

About 8-amino-2-methyl-5-phenyl-N-phenylmethoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide

8-amino-2-methyl-5-phenyl-N-phenylmethoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide (PubChem CID 59647390) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 8-amino-2-methyl-5-phenyl-N-phenylmethoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide.

Molecular Properties

Compound Name8-amino-2-methyl-5-phenyl-N-phenylmethoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
PubChem CID59647390
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name8-amino-2-methyl-5-phenyl-N-phenylmethoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESCN1CCc2c(-c3ccccc3)cc(C(=O)NOCc3ccccc3)c(N)c2C1
InChIInChI=1S/C24H25N3O2/c1-27-13-12-19-20(18-10-6-3-7-11-18)14-21(23(25)22(19)15-27)24(28)26-29-16-17-8-4-2-5-9-17/h2-11,14H,12-13,15-16,25H2,1H3,(H,26,28)
InChIKeyIVLFXZMDUQYDHS-UHFFFAOYSA-N
XLogP3.79
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-amino-2-methyl-5-phenyl-N-phenylmethoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The IUPAC name of 8-amino-2-methyl-5-phenyl-N-phenylmethoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide (CID 59647390) is 8-amino-2-methyl-5-phenyl-N-phenylmethoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide.
What is the SMILES notation for 8-amino-2-methyl-5-phenyl-N-phenylmethoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The canonical SMILES for 8-amino-2-methyl-5-phenyl-N-phenylmethoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide is CN1CCc2c(-c3ccccc3)cc(C(=O)NOCc3ccccc3)c(N)c2C1.
What is the InChIKey of 8-amino-2-methyl-5-phenyl-N-phenylmethoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The InChIKey is IVLFXZMDUQYDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-27-13-12-19-20(18-10-6-3-7-11-18)14-21(23(25)22(19)15-27)24(28)26-29-16-17-8-4-2-5-9-17/h2-11,14H,12-13,15-16,25H2,1H3,(H,26,28).
What are the key properties of 8-amino-2-methyl-5-phenyl-N-phenylmethoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide?
8-amino-2-methyl-5-phenyl-N-phenylmethoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-methyl-5-phenyl-N-phenylmethoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide is sourced from PubChem (CID 59647390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).