4-(5-amino-3-pyridinyl)-N-benzyl-3-methyl-8-phenylisoquinolin-1-amine

C28H24N4 — CID 144706489

IUPAC4-(5-amino-3-pyridinyl)-N-benzyl-3-methyl-8-phenylisoquinolin-1-amine
SMILESCc1nc(NCc2ccccc2)c2c(-c3ccccc3)cccc2c1-c1cncc(N)c1
InChIInChI=1S/C28H24N4/c1-19-26(22-15-23(29)18-30-17-22)25-14-8-13-24(21-11-6-3-7-12-21)27(25)28(32-19)31-16-20-9-4-2-5-10-20/h2-15,17-18H,16,29H2,1H3,(H,31,32)
InChIKeySMUSUHCDMNJBLW-UHFFFAOYSA-N
MW416.53 g/mol
LogP6.47
Rot. Bonds5

About 4-(5-amino-3-pyridinyl)-N-benzyl-3-methyl-8-phenylisoquinolin-1-amine

4-(5-amino-3-pyridinyl)-N-benzyl-3-methyl-8-phenylisoquinolin-1-amine (PubChem CID 144706489) has the molecular formula C28H24N4 and a molecular weight of 416.53 g/mol. Its IUPAC name is 4-(5-amino-3-pyridinyl)-N-benzyl-3-methyl-8-phenylisoquinolin-1-amine.

Molecular Properties

Compound Name4-(5-amino-3-pyridinyl)-N-benzyl-3-methyl-8-phenylisoquinolin-1-amine
PubChem CID144706489
Molecular FormulaC28H24N4
Molecular Weight416.53 g/mol
Exact Mass416.20
IUPAC Name4-(5-amino-3-pyridinyl)-N-benzyl-3-methyl-8-phenylisoquinolin-1-amine
SMILESCc1nc(NCc2ccccc2)c2c(-c3ccccc3)cccc2c1-c1cncc(N)c1
InChIInChI=1S/C28H24N4/c1-19-26(22-15-23(29)18-30-17-22)25-14-8-13-24(21-11-6-3-7-12-21)27(25)28(32-19)31-16-20-9-4-2-5-10-20/h2-15,17-18H,16,29H2,1H3,(H,31,32)
InChIKeySMUSUHCDMNJBLW-UHFFFAOYSA-N
XLogP6.47
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-chloro-4-(5-methyl-3-pyridinyl)-8-phenylisoquinolin-1-amine
CID 144706407
5-[1-(benzylamino)-3-chloro-8-phenylisoquinolin-4-yl]pyridine-3-sulfonamide
CID 118659301
4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine
CID 86267455
[5-[4-(benzylamino)-5-phenylphthalazin-1-yl]-3-pyridinyl]urea
CID 86270485
N-[5-[4-(benzylamino)-5-phenylphthalazin-1-yl]-3-pyridinyl]methanesulfonamide
CID 86270291
4-(5-methyl-3-pyridinyl)-8-phenyl-N-(pyridin-2-ylmethyl)isoquinolin-1-amine
CID 144706411
4-(6-amino-3-pyridinyl)-N-benzyl-8-phenylphthalazin-1-amine;N-[5-[4-(benzylamino)-5-phenylphthalazin-1-yl]-2-pyridinyl]acetamide;1-[5-[4-(benzylamino)-5-phenylphthalazin-1-yl]-3-pyridinyl]ethanone;N-[5-[4-(benzylamino)-5-phenylphthalazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 157329958
3-(5-amino-3-pyridinyl)-8-phenyl-N-(pyridin-2-ylmethyl)isoquinolin-1-amine;3-chloro-8-phenyl-N-(pyridin-2-ylmethyl)isoquinolin-1-amine;3-[5-(methylsulfonylmethyl)-3-pyridinyl]-8-phenyl-N-(pyridin-2-ylmethyl)isoquinolin-1-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
CID 162233653
4-[5-(1-aminoethenyl)-3-pyridinyl]-8-phenyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 118679911
2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine
CID 88886946
N,2-dimethylpropan-2-amine;ethane;formaldehyde;methanol;4-(5-methyl-3-pyridinyl)-3-methylsulfanyl-8-phenyl-N-(1-phenylethyl)isoquinolin-1-amine
CID 144706441
N-benzyl-4-(5-methylsulfonyl-3-pyridinyl)-8-phenylphthalazin-1-amine;5-[4-[(2-methylphenyl)methylamino]-5-phenylphthalazin-1-yl]pyridine-3-sulfonamide;4-(5-methyl-3-pyridinyl)-8-phenyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 160673588

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-3-pyridinyl)-N-benzyl-3-methyl-8-phenylisoquinolin-1-amine?
The IUPAC name of 4-(5-amino-3-pyridinyl)-N-benzyl-3-methyl-8-phenylisoquinolin-1-amine (CID 144706489) is 4-(5-amino-3-pyridinyl)-N-benzyl-3-methyl-8-phenylisoquinolin-1-amine.
What is the SMILES notation for 4-(5-amino-3-pyridinyl)-N-benzyl-3-methyl-8-phenylisoquinolin-1-amine?
The canonical SMILES for 4-(5-amino-3-pyridinyl)-N-benzyl-3-methyl-8-phenylisoquinolin-1-amine is Cc1nc(NCc2ccccc2)c2c(-c3ccccc3)cccc2c1-c1cncc(N)c1.
What is the InChIKey of 4-(5-amino-3-pyridinyl)-N-benzyl-3-methyl-8-phenylisoquinolin-1-amine?
The InChIKey is SMUSUHCDMNJBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4/c1-19-26(22-15-23(29)18-30-17-22)25-14-8-13-24(21-11-6-3-7-12-21)27(25)28(32-19)31-16-20-9-4-2-5-10-20/h2-15,17-18H,16,29H2,1H3,(H,31,32).
What are the key properties of 4-(5-amino-3-pyridinyl)-N-benzyl-3-methyl-8-phenylisoquinolin-1-amine?
4-(5-amino-3-pyridinyl)-N-benzyl-3-methyl-8-phenylisoquinolin-1-amine has a molecular weight of 416.53 g/mol, XLogP of 6.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-3-pyridinyl)-N-benzyl-3-methyl-8-phenylisoquinolin-1-amine is sourced from PubChem (CID 144706489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).