N-heptan-2-yl-6-methoxyquinolin-8-amine

C17H24N2O — CID 70828579

IUPACN-heptan-2-yl-6-methoxyquinolin-8-amine
SMILESCCCCCC(C)Nc1cc(OC)cc2cccnc12
InChIInChI=1S/C17H24N2O/c1-4-5-6-8-13(2)19-16-12-15(20-3)11-14-9-7-10-18-17(14)16/h7,9-13,19H,4-6,8H2,1-3H3
InChIKeyVMAZQTUUYUUKNO-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.62
Rot. Bonds7

About N-heptan-2-yl-6-methoxyquinolin-8-amine

N-heptan-2-yl-6-methoxyquinolin-8-amine (PubChem CID 70828579) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-heptan-2-yl-6-methoxyquinolin-8-amine.

Molecular Properties

Compound NameN-heptan-2-yl-6-methoxyquinolin-8-amine
PubChem CID70828579
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-heptan-2-yl-6-methoxyquinolin-8-amine
SMILESCCCCCC(C)Nc1cc(OC)cc2cccnc12
InChIInChI=1S/C17H24N2O/c1-4-5-6-8-13(2)19-16-12-15(20-3)11-14-9-7-10-18-17(14)16/h7,9-13,19H,4-6,8H2,1-3H3
InChIKeyVMAZQTUUYUUKNO-UHFFFAOYSA-N
XLogP4.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]oxamide;dihydrochloride
CID 90664753
1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea
CID 21115016
N'-[(4S)-4-[(6-methoxyquinolin-8-yl)amino]pentyl]-N,N-dimethylmethanimidamide
CID 97301861
2-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide
CID 14370815
(4S)-1-N-acridin-9-yl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
CID 39070210
N'-hydroxy-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]butanediamide
CID 171352046
3-N,5-N-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]pyridine-3,5-dicarboxamide;hydrochloride
CID 53324732
(2R)-2-amino-5-[4-[(6-methoxyquinolin-8-yl)amino]pentylcarbamoylamino]pentanoic acid
CID 70681420
1,1,4-trideuterio-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
CID 53340987
1-(3-hydroxyphenyl)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentylcarbamoylamino]urea
CID 134131561
(5R)-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,2,5-trimethylimidazolidin-4-one
CID 45485830
N-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]hexanamide
CID 45489032

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-6-methoxyquinolin-8-amine?
The IUPAC name of N-heptan-2-yl-6-methoxyquinolin-8-amine (CID 70828579) is N-heptan-2-yl-6-methoxyquinolin-8-amine.
What is the SMILES notation for N-heptan-2-yl-6-methoxyquinolin-8-amine?
The canonical SMILES for N-heptan-2-yl-6-methoxyquinolin-8-amine is CCCCCC(C)Nc1cc(OC)cc2cccnc12.
What is the InChIKey of N-heptan-2-yl-6-methoxyquinolin-8-amine?
The InChIKey is VMAZQTUUYUUKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-5-6-8-13(2)19-16-12-15(20-3)11-14-9-7-10-18-17(14)16/h7,9-13,19H,4-6,8H2,1-3H3.
What are the key properties of N-heptan-2-yl-6-methoxyquinolin-8-amine?
N-heptan-2-yl-6-methoxyquinolin-8-amine has a molecular weight of 272.39 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-6-methoxyquinolin-8-amine is sourced from PubChem (CID 70828579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).