N-butyl-6-(4-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-2-(2,3,4,5-tetrahydropyridin-3-yl)quinolin-4-amine

C25H30FN3O — CID 123551125

IUPACN-butyl-6-(4-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-2-(2,3,4,5-tetrahydropyridin-3-yl)quinolin-4-amine
SMILESCCCCNc1cc(C2CCC=NC2)nc2c(OC)cc(C3C=CC(F)=CC3)cc12
InChIInChI=1S/C25H30FN3O/c1-3-4-12-28-23-15-22(18-6-5-11-27-16-18)29-25-21(23)13-19(14-24(25)30-2)17-7-9-20(26)10-8-17/h7,9-11,13-15,17-18H,3-6,8,12,16H2,1-2H3,(H,28,29)
InChIKeyHVIFHGATELFVRW-UHFFFAOYSA-N
MW407.53 g/mol
LogP6.30
Rot. Bonds7

About N-butyl-6-(4-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-2-(2,3,4,5-tetrahydropyridin-3-yl)quinolin-4-amine

N-butyl-6-(4-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-2-(2,3,4,5-tetrahydropyridin-3-yl)quinolin-4-amine (PubChem CID 123551125) has the molecular formula C25H30FN3O and a molecular weight of 407.53 g/mol. Its IUPAC name is N-butyl-6-(4-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-2-(2,3,4,5-tetrahydropyridin-3-yl)quinolin-4-amine.

Molecular Properties

Compound NameN-butyl-6-(4-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-2-(2,3,4,5-tetrahydropyridin-3-yl)quinolin-4-amine
PubChem CID123551125
Molecular FormulaC25H30FN3O
Molecular Weight407.53 g/mol
Exact Mass407.24
IUPAC NameN-butyl-6-(4-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-2-(2,3,4,5-tetrahydropyridin-3-yl)quinolin-4-amine
SMILESCCCCNc1cc(C2CCC=NC2)nc2c(OC)cc(C3C=CC(F)=CC3)cc12
InChIInChI=1S/C25H30FN3O/c1-3-4-12-28-23-15-22(18-6-5-11-27-16-18)29-25-21(23)13-19(14-24(25)30-2)17-7-9-20(26)10-8-17/h7,9-11,13-15,17-18H,3-6,8,12,16H2,1-2H3,(H,28,29)
InChIKeyHVIFHGATELFVRW-UHFFFAOYSA-N
XLogP6.30
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.53
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxynitracrine
CID 154886
8-Methoxyquinoline
CID 70310
8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
SK&F 96079
CID 196776
8-Methoxyquinolin-4-amine
CID 16767485
6-Methoxyquinolin-5-amine
CID 459671
4-Hydrazino-8-methoxy-2-methylquinoline
CID 460140
N-n-heptyl-7-methoxytacrine hydrochloride
CID 10496398
N-n-hexyl-7-methoxytacrine hydrochloride
CID 52941983
(6-Methoxy-2-methyl-quinolin-4-yl)-p-tolyl-amine
CID 23724347
8-methoxy-2-methyl-N-[(E)-2-quinolylmethyleneamino]quinolin-4-amine
CID 24805849
Benzaldehyde, (8-methoxy-4-quinolinyl)hydrazone
CID 44418598

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(4-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-2-(2,3,4,5-tetrahydropyridin-3-yl)quinolin-4-amine?
The IUPAC name of N-butyl-6-(4-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-2-(2,3,4,5-tetrahydropyridin-3-yl)quinolin-4-amine (CID 123551125) is N-butyl-6-(4-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-2-(2,3,4,5-tetrahydropyridin-3-yl)quinolin-4-amine.
What is the SMILES notation for N-butyl-6-(4-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-2-(2,3,4,5-tetrahydropyridin-3-yl)quinolin-4-amine?
The canonical SMILES for N-butyl-6-(4-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-2-(2,3,4,5-tetrahydropyridin-3-yl)quinolin-4-amine is CCCCNc1cc(C2CCC=NC2)nc2c(OC)cc(C3C=CC(F)=CC3)cc12.
What is the InChIKey of N-butyl-6-(4-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-2-(2,3,4,5-tetrahydropyridin-3-yl)quinolin-4-amine?
The InChIKey is HVIFHGATELFVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O/c1-3-4-12-28-23-15-22(18-6-5-11-27-16-18)29-25-21(23)13-19(14-24(25)30-2)17-7-9-20(26)10-8-17/h7,9-11,13-15,17-18H,3-6,8,12,16H2,1-2H3,(H,28,29).
What are the key properties of N-butyl-6-(4-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-2-(2,3,4,5-tetrahydropyridin-3-yl)quinolin-4-amine?
N-butyl-6-(4-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-2-(2,3,4,5-tetrahydropyridin-3-yl)quinolin-4-amine has a molecular weight of 407.53 g/mol, XLogP of 6.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(4-fluorocyclohexa-2,4-dien-1-yl)-8-methoxy-2-(2,3,4,5-tetrahydropyridin-3-yl)quinolin-4-amine is sourced from PubChem (CID 123551125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).