N-methyl-N-(3-oct-7-enoxyphenyl)quinoline-6-carboxamide

C25H28N2O2 — CID 68733496

IUPACN-methyl-N-(3-oct-7-enoxyphenyl)quinoline-6-carboxamide
SMILESC=CCCCCCCOc1cccc(N(C)C(=O)c2ccc3ncccc3c2)c1
InChIInChI=1S/C25H28N2O2/c1-3-4-5-6-7-8-17-29-23-13-9-12-22(19-23)27(2)25(28)21-14-15-24-20(18-21)11-10-16-26-24/h3,9-16,18-19H,1,4-8,17H2,2H3
InChIKeyAJZRQVMSWFTVPE-UHFFFAOYSA-N
MW388.51 g/mol
LogP6.03
Rot. Bonds10

About N-methyl-N-(3-oct-7-enoxyphenyl)quinoline-6-carboxamide

N-methyl-N-(3-oct-7-enoxyphenyl)quinoline-6-carboxamide (PubChem CID 68733496) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-methyl-N-(3-oct-7-enoxyphenyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-oct-7-enoxyphenyl)quinoline-6-carboxamide
PubChem CID68733496
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-methyl-N-(3-oct-7-enoxyphenyl)quinoline-6-carboxamide
SMILESC=CCCCCCCOc1cccc(N(C)C(=O)c2ccc3ncccc3c2)c1
InChIInChI=1S/C25H28N2O2/c1-3-4-5-6-7-8-17-29-23-13-9-12-22(19-23)27(2)25(28)21-14-15-24-20(18-21)11-10-16-26-24/h3,9-16,18-19H,1,4-8,17H2,2H3
InChIKeyAJZRQVMSWFTVPE-UHFFFAOYSA-N
XLogP6.03
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hex-5-ynoxyphenyl)-N-methylquinoline-6-carboxamide
CID 87554261
N-(3-hex-4-ynoxyphenyl)-N-methylquinoline-6-carboxamide
CID 68732695
N-[(3-hept-5-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68732822
N-[[3-[(E)-oct-5-enoxy]phenyl]methyl]quinoline-6-carboxamide
CID 68781419
N-cyclopropyl-N-prop-2-enylquinoline-6-carboxamide
CID 75399345
N-(2-fluoro-3-hept-6-ynoxyphenyl)-N-methylquinoline-6-carboxamide
CID 87552866
N-(5-chloropentyl)-N-methylquinoline-6-carboxamide
CID 107205485
N-(2-fluoro-3-oct-2-enoxyphenyl)-N-methylquinoline-6-carboxamide
CID 68732097
N-[(3-oct-6-ynoxyphenyl)methyl]quinoline-6-carboxamide
CID 68733091
N-[(3-pent-3-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68734738
N-methyl-N-(3-oct-4-ynoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 68984215
N-(2-fluoro-3-oct-5-ynoxyphenyl)-N-methylquinoline-6-carboxamide
CID 68731637

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-oct-7-enoxyphenyl)quinoline-6-carboxamide?
The IUPAC name of N-methyl-N-(3-oct-7-enoxyphenyl)quinoline-6-carboxamide (CID 68733496) is N-methyl-N-(3-oct-7-enoxyphenyl)quinoline-6-carboxamide.
What is the SMILES notation for N-methyl-N-(3-oct-7-enoxyphenyl)quinoline-6-carboxamide?
The canonical SMILES for N-methyl-N-(3-oct-7-enoxyphenyl)quinoline-6-carboxamide is C=CCCCCCCOc1cccc(N(C)C(=O)c2ccc3ncccc3c2)c1.
What is the InChIKey of N-methyl-N-(3-oct-7-enoxyphenyl)quinoline-6-carboxamide?
The InChIKey is AJZRQVMSWFTVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-3-4-5-6-7-8-17-29-23-13-9-12-22(19-23)27(2)25(28)21-14-15-24-20(18-21)11-10-16-26-24/h3,9-16,18-19H,1,4-8,17H2,2H3.
What are the key properties of N-methyl-N-(3-oct-7-enoxyphenyl)quinoline-6-carboxamide?
N-methyl-N-(3-oct-7-enoxyphenyl)quinoline-6-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 6.03, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-oct-7-enoxyphenyl)quinoline-6-carboxamide is sourced from PubChem (CID 68733496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).