8-methyl-2-[2-[4-[2-(2-phenylethylamino)ethyl]phenyl]ethyl]benzo[f][1,7]naphthyridin-5-amine

C31H32N4 — CID 67003796

IUPAC8-methyl-2-[2-[4-[2-(2-phenylethylamino)ethyl]phenyl]ethyl]benzo[f][1,7]naphthyridin-5-amine
SMILESCc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(CCNCCc4ccccc4)cc3)cc12
InChIInChI=1S/C31H32N4/c1-22-7-14-27-28-20-26(21-34-30(28)31(32)35-29(27)19-22)13-12-24-8-10-25(11-9-24)16-18-33-17-15-23-5-3-2-4-6-23/h2-11,14,19-21,33H,12-13,15-18H2,1H3,(H2,32,35)
InChIKeyDLAQPWPLAYOYKJ-UHFFFAOYSA-N
MW460.63 g/mol
LogP5.83
Rot. Bonds9

About 8-methyl-2-[2-[4-[2-(2-phenylethylamino)ethyl]phenyl]ethyl]benzo[f][1,7]naphthyridin-5-amine

8-methyl-2-[2-[4-[2-(2-phenylethylamino)ethyl]phenyl]ethyl]benzo[f][1,7]naphthyridin-5-amine (PubChem CID 67003796) has the molecular formula C31H32N4 and a molecular weight of 460.63 g/mol. Its IUPAC name is 8-methyl-2-[2-[4-[2-(2-phenylethylamino)ethyl]phenyl]ethyl]benzo[f][1,7]naphthyridin-5-amine.

Molecular Properties

Compound Name8-methyl-2-[2-[4-[2-(2-phenylethylamino)ethyl]phenyl]ethyl]benzo[f][1,7]naphthyridin-5-amine
PubChem CID67003796
Molecular FormulaC31H32N4
Molecular Weight460.63 g/mol
Exact Mass460.26
IUPAC Name8-methyl-2-[2-[4-[2-(2-phenylethylamino)ethyl]phenyl]ethyl]benzo[f][1,7]naphthyridin-5-amine
SMILESCc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(CCNCCc4ccccc4)cc3)cc12
InChIInChI=1S/C31H32N4/c1-22-7-14-27-28-20-26(21-34-30(28)31(32)35-29(27)19-22)13-12-24-8-10-25(11-9-24)16-18-33-17-15-23-5-3-2-4-6-23/h2-11,14,19-21,33H,12-13,15-18H2,1H3,(H2,32,35)
InChIKeyDLAQPWPLAYOYKJ-UHFFFAOYSA-N
XLogP5.83
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.63
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[2-[4-[2-(2-phenylethylamino)ethyl]phenyl]ethyl]benzo[f][1,7]naphthyridin-5-amine?
The IUPAC name of 8-methyl-2-[2-[4-[2-(2-phenylethylamino)ethyl]phenyl]ethyl]benzo[f][1,7]naphthyridin-5-amine (CID 67003796) is 8-methyl-2-[2-[4-[2-(2-phenylethylamino)ethyl]phenyl]ethyl]benzo[f][1,7]naphthyridin-5-amine.
What is the SMILES notation for 8-methyl-2-[2-[4-[2-(2-phenylethylamino)ethyl]phenyl]ethyl]benzo[f][1,7]naphthyridin-5-amine?
The canonical SMILES for 8-methyl-2-[2-[4-[2-(2-phenylethylamino)ethyl]phenyl]ethyl]benzo[f][1,7]naphthyridin-5-amine is Cc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(CCNCCc4ccccc4)cc3)cc12.
What is the InChIKey of 8-methyl-2-[2-[4-[2-(2-phenylethylamino)ethyl]phenyl]ethyl]benzo[f][1,7]naphthyridin-5-amine?
The InChIKey is DLAQPWPLAYOYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4/c1-22-7-14-27-28-20-26(21-34-30(28)31(32)35-29(27)19-22)13-12-24-8-10-25(11-9-24)16-18-33-17-15-23-5-3-2-4-6-23/h2-11,14,19-21,33H,12-13,15-18H2,1H3,(H2,32,35).
What are the key properties of 8-methyl-2-[2-[4-[2-(2-phenylethylamino)ethyl]phenyl]ethyl]benzo[f][1,7]naphthyridin-5-amine?
8-methyl-2-[2-[4-[2-(2-phenylethylamino)ethyl]phenyl]ethyl]benzo[f][1,7]naphthyridin-5-amine has a molecular weight of 460.63 g/mol, XLogP of 5.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[2-[4-[2-(2-phenylethylamino)ethyl]phenyl]ethyl]benzo[f][1,7]naphthyridin-5-amine is sourced from PubChem (CID 67003796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).