N-cyclopropyl-3,6-dimethylquinolin-8-amine;formamide;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-5-propoxy-2-pyridinyl]propyl]formamide

C34H39F4N5O3 — CID 164910589

IUPACN-cyclopropyl-3,6-dimethylquinolin-8-amine;formamide;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-5-propoxy-2-pyridinyl]propyl]formamide
SMILESCCCOc1c(C)cc(C(CNC=O)C(F)(F)F)nc1-c1ccc(F)cc1.Cc1cnc2c(NC3CC3)cc(C)cc2c1.NC=O
InChIInChI=1S/C19H20F4N2O2.C14H16N2.CH3NO/c1-3-8-27-18-12(2)9-16(15(10-24-11-26)19(21,22)23)25-17(18)13-4-6-14(20)7-5-13;1-9-5-11-6-10(2)8-15-14(11)13(7-9)16-12-3-4-12;2-1-3/h4-7,9,11,15H,3,8,10H2,1-2H3,(H,24,26);5-8,12,16H,3-4H2,1-2H3;1H,(H2,2,3)
InChIKeyCGFVFPJLSIIWGL-UHFFFAOYSA-N
MW641.71 g/mol
LogP6.90
Rot. Bonds10

About N-cyclopropyl-3,6-dimethylquinolin-8-amine;formamide;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-5-propoxy-2-pyridinyl]propyl]formamide

N-cyclopropyl-3,6-dimethylquinolin-8-amine;formamide;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-5-propoxy-2-pyridinyl]propyl]formamide (PubChem CID 164910589) has the molecular formula C34H39F4N5O3 and a molecular weight of 641.71 g/mol. Its IUPAC name is N-cyclopropyl-3,6-dimethylquinolin-8-amine;formamide;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-5-propoxy-2-pyridinyl]propyl]formamide.

Molecular Properties

Compound NameN-cyclopropyl-3,6-dimethylquinolin-8-amine;formamide;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-5-propoxy-2-pyridinyl]propyl]formamide
PubChem CID164910589
Molecular FormulaC34H39F4N5O3
Molecular Weight641.71 g/mol
Exact Mass641.30
IUPAC NameN-cyclopropyl-3,6-dimethylquinolin-8-amine;formamide;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-5-propoxy-2-pyridinyl]propyl]formamide
SMILESCCCOc1c(C)cc(C(CNC=O)C(F)(F)F)nc1-c1ccc(F)cc1.Cc1cnc2c(NC3CC3)cc(C)cc2c1.NC=O
InChIInChI=1S/C19H20F4N2O2.C14H16N2.CH3NO/c1-3-8-27-18-12(2)9-16(15(10-24-11-26)19(21,22)23)25-17(18)13-4-6-14(20)7-5-13;1-9-5-11-6-10(2)8-15-14(11)13(7-9)16-12-3-4-12;2-1-3/h4-7,9,11,15H,3,8,10H2,1-2H3,(H,24,26);5-8,12,16H,3-4H2,1-2H3;1H,(H2,2,3)
InChIKeyCGFVFPJLSIIWGL-UHFFFAOYSA-N
XLogP6.90
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.71
LogP ≤ 56.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3,6-dimethylquinolin-8-amine;formamide;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-5-propoxy-2-pyridinyl]propyl]formamide?
The IUPAC name of N-cyclopropyl-3,6-dimethylquinolin-8-amine;formamide;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-5-propoxy-2-pyridinyl]propyl]formamide (CID 164910589) is N-cyclopropyl-3,6-dimethylquinolin-8-amine;formamide;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-5-propoxy-2-pyridinyl]propyl]formamide.
What is the SMILES notation for N-cyclopropyl-3,6-dimethylquinolin-8-amine;formamide;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-5-propoxy-2-pyridinyl]propyl]formamide?
The canonical SMILES for N-cyclopropyl-3,6-dimethylquinolin-8-amine;formamide;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-5-propoxy-2-pyridinyl]propyl]formamide is CCCOc1c(C)cc(C(CNC=O)C(F)(F)F)nc1-c1ccc(F)cc1.Cc1cnc2c(NC3CC3)cc(C)cc2c1.NC=O.
What is the InChIKey of N-cyclopropyl-3,6-dimethylquinolin-8-amine;formamide;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-5-propoxy-2-pyridinyl]propyl]formamide?
The InChIKey is CGFVFPJLSIIWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N2O2.C14H16N2.CH3NO/c1-3-8-27-18-12(2)9-16(15(10-24-11-26)19(21,22)23)25-17(18)13-4-6-14(20)7-5-13;1-9-5-11-6-10(2)8-15-14(11)13(7-9)16-12-3-4-12;2-1-3/h4-7,9,11,15H,3,8,10H2,1-2H3,(H,24,26);5-8,12,16H,3-4H2,1-2H3;1H,(H2,2,3).
What are the key properties of N-cyclopropyl-3,6-dimethylquinolin-8-amine;formamide;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-5-propoxy-2-pyridinyl]propyl]formamide?
N-cyclopropyl-3,6-dimethylquinolin-8-amine;formamide;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-5-propoxy-2-pyridinyl]propyl]formamide has a molecular weight of 641.71 g/mol, XLogP of 6.90, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3,6-dimethylquinolin-8-amine;formamide;N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-4-methyl-5-propoxy-2-pyridinyl]propyl]formamide is sourced from PubChem (CID 164910589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).