N-butylbenzo[g]quinolin-4-amine

C17H18N2 — CID 3084378

IUPACN-butylbenzo[g]quinolin-4-amine
SMILESCCCCNc1ccnc2cc3ccccc3cc12
InChIInChI=1S/C17H18N2/c1-2-3-9-18-16-8-10-19-17-12-14-7-5-4-6-13(14)11-15(16)17/h4-8,10-12H,2-3,9H2,1H3,(H,18,19)
InChIKeyNOXPGLASSZUOJL-UHFFFAOYSA-N
MW250.35 g/mol
LogP4.60
Rot. Bonds4

About N-butylbenzo[g]quinolin-4-amine

N-butylbenzo[g]quinolin-4-amine (PubChem CID 3084378) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is N-butylbenzo[g]quinolin-4-amine.

Molecular Properties

Compound NameN-butylbenzo[g]quinolin-4-amine
PubChem CID3084378
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC NameN-butylbenzo[g]quinolin-4-amine
SMILESCCCCNc1ccnc2cc3ccccc3cc12
InChIInChI=1S/C17H18N2/c1-2-3-9-18-16-8-10-19-17-12-14-7-5-4-6-13(14)11-15(16)17/h4-8,10-12H,2-3,9H2,1H3,(H,18,19)
InChIKeyNOXPGLASSZUOJL-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butylbenzo[g]quinolin-4-amine?
The IUPAC name of N-butylbenzo[g]quinolin-4-amine (CID 3084378) is N-butylbenzo[g]quinolin-4-amine.
What is the SMILES notation for N-butylbenzo[g]quinolin-4-amine?
The canonical SMILES for N-butylbenzo[g]quinolin-4-amine is CCCCNc1ccnc2cc3ccccc3cc12.
What is the InChIKey of N-butylbenzo[g]quinolin-4-amine?
The InChIKey is NOXPGLASSZUOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-2-3-9-18-16-8-10-19-17-12-14-7-5-4-6-13(14)11-15(16)17/h4-8,10-12H,2-3,9H2,1H3,(H,18,19).
What are the key properties of N-butylbenzo[g]quinolin-4-amine?
N-butylbenzo[g]quinolin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylbenzo[g]quinolin-4-amine is sourced from PubChem (CID 3084378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).