N-[4-[4-(4-fluorophenyl)triazol-1-yl]butyl]quinolin-8-amine

C21H20FN5 — CID 162640142

IUPACN-[4-[4-(4-fluorophenyl)triazol-1-yl]butyl]quinolin-8-amine
SMILESFc1ccc(-c2cn(CCCCNc3cccc4cccnc34)nn2)cc1
InChIInChI=1S/C21H20FN5/c22-18-10-8-16(9-11-18)20-15-27(26-25-20)14-2-1-12-23-19-7-3-5-17-6-4-13-24-21(17)19/h3-11,13,15,23H,1-2,12,14H2
InChIKeyUDZHPBSTVLQNGC-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.52
Rot. Bonds7

About N-[4-[4-(4-fluorophenyl)triazol-1-yl]butyl]quinolin-8-amine

N-[4-[4-(4-fluorophenyl)triazol-1-yl]butyl]quinolin-8-amine (PubChem CID 162640142) has the molecular formula C21H20FN5 and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[4-[4-(4-fluorophenyl)triazol-1-yl]butyl]quinolin-8-amine.

Molecular Properties

Compound NameN-[4-[4-(4-fluorophenyl)triazol-1-yl]butyl]quinolin-8-amine
PubChem CID162640142
Molecular FormulaC21H20FN5
Molecular Weight361.42 g/mol
Exact Mass361.17
IUPAC NameN-[4-[4-(4-fluorophenyl)triazol-1-yl]butyl]quinolin-8-amine
SMILESFc1ccc(-c2cn(CCCCNc3cccc4cccnc34)nn2)cc1
InChIInChI=1S/C21H20FN5/c22-18-10-8-16(9-11-18)20-15-27(26-25-20)14-2-1-12-23-19-7-3-5-17-6-4-13-24-21(17)19/h3-11,13,15,23H,1-2,12,14H2
InChIKeyUDZHPBSTVLQNGC-UHFFFAOYSA-N
XLogP4.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[3-(quinolin-8-ylamino)propyl]triazol-4-yl]ethanol
CID 162640094
N-heptylquinolin-8-amine
CID 43130175
5-(quinolin-8-ylamino)pentylcarbamic acid
CID 126720717
2-(4-fluorophenoxy)-N-quinolin-8-ylacetamide
CID 17443973
2-methyl-5-(quinolin-8-ylamino)pentan-2-ol
CID 118731137
N-(3,3-dimethylbutyl)quinolin-8-amine
CID 62965994
N-(1H-pyrrol-3-ylmethyl)quinolin-8-amine
CID 66408480
5-(butylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109180980
N-[(3-fluoro-4-methylphenyl)methyl]quinolin-8-amine
CID 63647013
4-N-[(4-fluorophenyl)methyl]-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112891491
N-(3-methoxy-3-methylbutyl)quinolin-8-amine
CID 106675039
3-[2-(4-fluorophenyl)ethylamino]-N-quinolin-8-ylpropanamide
CID 109025202

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-fluorophenyl)triazol-1-yl]butyl]quinolin-8-amine?
The IUPAC name of N-[4-[4-(4-fluorophenyl)triazol-1-yl]butyl]quinolin-8-amine (CID 162640142) is N-[4-[4-(4-fluorophenyl)triazol-1-yl]butyl]quinolin-8-amine.
What is the SMILES notation for N-[4-[4-(4-fluorophenyl)triazol-1-yl]butyl]quinolin-8-amine?
The canonical SMILES for N-[4-[4-(4-fluorophenyl)triazol-1-yl]butyl]quinolin-8-amine is Fc1ccc(-c2cn(CCCCNc3cccc4cccnc34)nn2)cc1.
What is the InChIKey of N-[4-[4-(4-fluorophenyl)triazol-1-yl]butyl]quinolin-8-amine?
The InChIKey is UDZHPBSTVLQNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5/c22-18-10-8-16(9-11-18)20-15-27(26-25-20)14-2-1-12-23-19-7-3-5-17-6-4-13-24-21(17)19/h3-11,13,15,23H,1-2,12,14H2.
What are the key properties of N-[4-[4-(4-fluorophenyl)triazol-1-yl]butyl]quinolin-8-amine?
N-[4-[4-(4-fluorophenyl)triazol-1-yl]butyl]quinolin-8-amine has a molecular weight of 361.42 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-fluorophenyl)triazol-1-yl]butyl]quinolin-8-amine is sourced from PubChem (CID 162640142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).