N-(2-phenylethyl)benzo[g]quinolin-4-amine

C21H18N2 — CID 1380898

IUPACN-(2-phenylethyl)benzo[g]quinolin-4-amine
SMILESc1ccc(CCNc2ccnc3cc4ccccc4cc23)cc1
InChIInChI=1S/C21H18N2/c1-2-6-16(7-3-1)10-12-22-20-11-13-23-21-15-18-9-5-4-8-17(18)14-19(20)21/h1-9,11,13-15H,10,12H2,(H,22,23)
InChIKeyMRCKFNLDQYXIPD-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.04
Rot. Bonds4

About N-(2-phenylethyl)benzo[g]quinolin-4-amine

N-(2-phenylethyl)benzo[g]quinolin-4-amine (PubChem CID 1380898) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2-phenylethyl)benzo[g]quinolin-4-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)benzo[g]quinolin-4-amine
PubChem CID1380898
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC NameN-(2-phenylethyl)benzo[g]quinolin-4-amine
SMILESc1ccc(CCNc2ccnc3cc4ccccc4cc23)cc1
InChIInChI=1S/C21H18N2/c1-2-6-16(7-3-1)10-12-22-20-11-13-23-21-15-18-9-5-4-8-17(18)14-19(20)21/h1-9,11,13-15H,10,12H2,(H,22,23)
InChIKeyMRCKFNLDQYXIPD-UHFFFAOYSA-N
XLogP5.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)benzo[g]quinolin-4-amine?
The IUPAC name of N-(2-phenylethyl)benzo[g]quinolin-4-amine (CID 1380898) is N-(2-phenylethyl)benzo[g]quinolin-4-amine.
What is the SMILES notation for N-(2-phenylethyl)benzo[g]quinolin-4-amine?
The canonical SMILES for N-(2-phenylethyl)benzo[g]quinolin-4-amine is c1ccc(CCNc2ccnc3cc4ccccc4cc23)cc1.
What is the InChIKey of N-(2-phenylethyl)benzo[g]quinolin-4-amine?
The InChIKey is MRCKFNLDQYXIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c1-2-6-16(7-3-1)10-12-22-20-11-13-23-21-15-18-9-5-4-8-17(18)14-19(20)21/h1-9,11,13-15H,10,12H2,(H,22,23).
What are the key properties of N-(2-phenylethyl)benzo[g]quinolin-4-amine?
N-(2-phenylethyl)benzo[g]quinolin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)benzo[g]quinolin-4-amine is sourced from PubChem (CID 1380898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).