6-benzyl-N-(3-isoquinolin-3-yl-4-methylphenyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine

C31H28N4 — CID 58318056

IUPAC6-benzyl-N-(3-isoquinolin-3-yl-4-methylphenyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESCc1ccc(Nc2nccc3c2CCN(Cc2ccccc2)C3)cc1-c1cc2ccccc2cn1
InChIInChI=1S/C31H28N4/c1-22-11-12-27(18-29(22)30-17-24-9-5-6-10-25(24)19-33-30)34-31-28-14-16-35(21-26(28)13-15-32-31)20-23-7-3-2-4-8-23/h2-13,15,17-19H,14,16,20-21H2,1H3,(H,32,34)
InChIKeySJOVBIPUGSKPRX-UHFFFAOYSA-N
MW456.59 g/mol
LogP6.91
Rot. Bonds5

About 6-benzyl-N-(3-isoquinolin-3-yl-4-methylphenyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine

6-benzyl-N-(3-isoquinolin-3-yl-4-methylphenyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine (PubChem CID 58318056) has the molecular formula C31H28N4 and a molecular weight of 456.59 g/mol. Its IUPAC name is 6-benzyl-N-(3-isoquinolin-3-yl-4-methylphenyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

Molecular Properties

Compound Name6-benzyl-N-(3-isoquinolin-3-yl-4-methylphenyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine
PubChem CID58318056
Molecular FormulaC31H28N4
Molecular Weight456.59 g/mol
Exact Mass456.23
IUPAC Name6-benzyl-N-(3-isoquinolin-3-yl-4-methylphenyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESCc1ccc(Nc2nccc3c2CCN(Cc2ccccc2)C3)cc1-c1cc2ccccc2cn1
InChIInChI=1S/C31H28N4/c1-22-11-12-27(18-29(22)30-17-24-9-5-6-10-25(24)19-33-30)34-31-28-14-16-35(21-26(28)13-15-32-31)20-23-7-3-2-4-8-23/h2-13,15,17-19H,14,16,20-21H2,1H3,(H,32,34)
InChIKeySJOVBIPUGSKPRX-UHFFFAOYSA-N
XLogP6.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-(3-isoquinolin-3-yl-4-methylphenyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The IUPAC name of 6-benzyl-N-(3-isoquinolin-3-yl-4-methylphenyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine (CID 58318056) is 6-benzyl-N-(3-isoquinolin-3-yl-4-methylphenyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine.
What is the SMILES notation for 6-benzyl-N-(3-isoquinolin-3-yl-4-methylphenyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The canonical SMILES for 6-benzyl-N-(3-isoquinolin-3-yl-4-methylphenyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine is Cc1ccc(Nc2nccc3c2CCN(Cc2ccccc2)C3)cc1-c1cc2ccccc2cn1.
What is the InChIKey of 6-benzyl-N-(3-isoquinolin-3-yl-4-methylphenyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The InChIKey is SJOVBIPUGSKPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4/c1-22-11-12-27(18-29(22)30-17-24-9-5-6-10-25(24)19-33-30)34-31-28-14-16-35(21-26(28)13-15-32-31)20-23-7-3-2-4-8-23/h2-13,15,17-19H,14,16,20-21H2,1H3,(H,32,34).
What are the key properties of 6-benzyl-N-(3-isoquinolin-3-yl-4-methylphenyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
6-benzyl-N-(3-isoquinolin-3-yl-4-methylphenyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine has a molecular weight of 456.59 g/mol, XLogP of 6.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-(3-isoquinolin-3-yl-4-methylphenyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine is sourced from PubChem (CID 58318056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).