1-N-(7-fluoro-6-methoxyquinolin-4-yl)-4-methylpentane-1,4-diamine

C16H22FN3O — CID 167836399

IUPAC1-N-(7-fluoro-6-methoxyquinolin-4-yl)-4-methylpentane-1,4-diamine
SMILESCOc1cc2c(NCCCC(C)(C)N)ccnc2cc1F
InChIInChI=1S/C16H22FN3O/c1-16(2,18)6-4-7-19-13-5-8-20-14-10-12(17)15(21-3)9-11(13)14/h5,8-10H,4,6-7,18H2,1-3H3,(H,19,20)
InChIKeyFQGMHPWMXZTSCS-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.31
Rot. Bonds6

About 1-N-(7-fluoro-6-methoxyquinolin-4-yl)-4-methylpentane-1,4-diamine

1-N-(7-fluoro-6-methoxyquinolin-4-yl)-4-methylpentane-1,4-diamine (PubChem CID 167836399) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-N-(7-fluoro-6-methoxyquinolin-4-yl)-4-methylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(7-fluoro-6-methoxyquinolin-4-yl)-4-methylpentane-1,4-diamine
PubChem CID167836399
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name1-N-(7-fluoro-6-methoxyquinolin-4-yl)-4-methylpentane-1,4-diamine
SMILESCOc1cc2c(NCCCC(C)(C)N)ccnc2cc1F
InChIInChI=1S/C16H22FN3O/c1-16(2,18)6-4-7-19-13-5-8-20-14-10-12(17)15(21-3)9-11(13)14/h5,8-10H,4,6-7,18H2,1-3H3,(H,19,20)
InChIKeyFQGMHPWMXZTSCS-UHFFFAOYSA-N
XLogP3.31
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2,5-difluoro-4-methoxyphenyl)-4-methylpentane-1,4-diamine
CID 115205186
4-[(7-fluoro-6-methoxyquinolin-4-yl)amino]-4-methylpentanoic acid
CID 122059031
2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol
CID 159856965
N-(6,7-dimethoxyquinolin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 86037171
6,7-difluoro-N-propylquinolin-4-amine
CID 62190279
1-N-(2,5-difluoro-4-methoxyphenyl)-3-methylbutane-1,3-diamine
CID 115200419
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457
6,7-dimethoxy-N-methylquinolin-4-amine
CID 62190466
N-[(5-fluoro-2-methoxyphenyl)methyl]-N'-[7-(4-fluorophenyl)quinolin-4-yl]propane-1,3-diamine
CID 56594357
7-fluoro-6-methoxy-N-(2-methoxy-3,3-dimethylbutyl)quinazolin-4-amine
CID 133492096
5-[(7-methoxyquinolin-4-yl)amino]pentan-1-ol
CID 21424700
N'-(3,5-dimethoxyphenyl)-N-(7-fluoroquinolin-4-yl)ethane-1,2-diamine
CID 154864206

Frequently Asked Questions

What is the IUPAC name of 1-N-(7-fluoro-6-methoxyquinolin-4-yl)-4-methylpentane-1,4-diamine?
The IUPAC name of 1-N-(7-fluoro-6-methoxyquinolin-4-yl)-4-methylpentane-1,4-diamine (CID 167836399) is 1-N-(7-fluoro-6-methoxyquinolin-4-yl)-4-methylpentane-1,4-diamine.
What is the SMILES notation for 1-N-(7-fluoro-6-methoxyquinolin-4-yl)-4-methylpentane-1,4-diamine?
The canonical SMILES for 1-N-(7-fluoro-6-methoxyquinolin-4-yl)-4-methylpentane-1,4-diamine is COc1cc2c(NCCCC(C)(C)N)ccnc2cc1F.
What is the InChIKey of 1-N-(7-fluoro-6-methoxyquinolin-4-yl)-4-methylpentane-1,4-diamine?
The InChIKey is FQGMHPWMXZTSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-16(2,18)6-4-7-19-13-5-8-20-14-10-12(17)15(21-3)9-11(13)14/h5,8-10H,4,6-7,18H2,1-3H3,(H,19,20).
What are the key properties of 1-N-(7-fluoro-6-methoxyquinolin-4-yl)-4-methylpentane-1,4-diamine?
1-N-(7-fluoro-6-methoxyquinolin-4-yl)-4-methylpentane-1,4-diamine has a molecular weight of 291.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(7-fluoro-6-methoxyquinolin-4-yl)-4-methylpentane-1,4-diamine is sourced from PubChem (CID 167836399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).