N-(3-amino-4-methylpentyl)-N-methylbenzo[f]quinoline-5-carboxamide;dihydrochloride

C21H27Cl2N3O — CID 119660116

IUPACN-(3-amino-4-methylpentyl)-N-methylbenzo[f]quinoline-5-carboxamide;dihydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1cc2ccccc2c2cccnc12.Cl.Cl
InChIInChI=1S/C21H25N3O.2ClH/c1-14(2)19(22)10-12-24(3)21(25)18-13-15-7-4-5-8-16(15)17-9-6-11-23-20(17)18;;/h4-9,11,13-14,19H,10,12,22H2,1-3H3;2*1H
InChIKeyKMSZDYXQZBXIRJ-UHFFFAOYSA-N
MW408.37 g/mol
LogP4.68
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-N-methylbenzo[f]quinoline-5-carboxamide;dihydrochloride

N-(3-amino-4-methylpentyl)-N-methylbenzo[f]quinoline-5-carboxamide;dihydrochloride (PubChem CID 119660116) has the molecular formula C21H27Cl2N3O and a molecular weight of 408.37 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methylbenzo[f]quinoline-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methylbenzo[f]quinoline-5-carboxamide;dihydrochloride
PubChem CID119660116
Molecular FormulaC21H27Cl2N3O
Molecular Weight408.37 g/mol
Exact Mass407.15
IUPAC NameN-(3-amino-4-methylpentyl)-N-methylbenzo[f]quinoline-5-carboxamide;dihydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1cc2ccccc2c2cccnc12.Cl.Cl
InChIInChI=1S/C21H25N3O.2ClH/c1-14(2)19(22)10-12-24(3)21(25)18-13-15-7-4-5-8-16(15)17-9-6-11-23-20(17)18;;/h4-9,11,13-14,19H,10,12,22H2,1-3H3;2*1H
InChIKeyKMSZDYXQZBXIRJ-UHFFFAOYSA-N
XLogP4.68
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-3-amino-4-methylpentyl]-6-fluoro-N-methylnaphthalene-1-carboxamide;hydrochloride
CID 170898691
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CID 119658345
N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride
CID 119658400
2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 119657379
N-(2-hydroxypropyl)benzo[f]quinoline-5-carboxamide
CID 110893927
2-amino-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62185668
N-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride
CID 119659612
N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide
CID 115673293
N-(3-amino-4-methylpentyl)-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide;dihydrochloride
CID 119657984
N-(3-amino-4-methylpentyl)-N-methyl-3-propan-2-yloxypyridine-2-carboxamide
CID 119659840
N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride
CID 119657352
N-(3-amino-4-methylpentyl)-N-methyl-4-phenoxypyridine-2-carboxamide;dihydrochloride
CID 119659833

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methylbenzo[f]quinoline-5-carboxamide;dihydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methylbenzo[f]quinoline-5-carboxamide;dihydrochloride (CID 119660116) is N-(3-amino-4-methylpentyl)-N-methylbenzo[f]quinoline-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methylbenzo[f]quinoline-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methylbenzo[f]quinoline-5-carboxamide;dihydrochloride is CC(C)C(N)CCN(C)C(=O)c1cc2ccccc2c2cccnc12.Cl.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methylbenzo[f]quinoline-5-carboxamide;dihydrochloride?
The InChIKey is KMSZDYXQZBXIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O.2ClH/c1-14(2)19(22)10-12-24(3)21(25)18-13-15-7-4-5-8-16(15)17-9-6-11-23-20(17)18;;/h4-9,11,13-14,19H,10,12,22H2,1-3H3;2*1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methylbenzo[f]quinoline-5-carboxamide;dihydrochloride?
N-(3-amino-4-methylpentyl)-N-methylbenzo[f]quinoline-5-carboxamide;dihydrochloride has a molecular weight of 408.37 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methylbenzo[f]quinoline-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119660116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).