N-[[3-(cyclohexylmethoxy)phenyl]methyl]quinoline-6-carboxamide

C24H26N2O2 — CID 59192104

IUPACN-[[3-(cyclohexylmethoxy)phenyl]methyl]quinoline-6-carboxamide
SMILESO=C(NCc1cccc(OCC2CCCCC2)c1)c1ccc2ncccc2c1
InChIInChI=1S/C24H26N2O2/c27-24(21-11-12-23-20(15-21)9-5-13-25-23)26-16-19-8-4-10-22(14-19)28-17-18-6-2-1-3-7-18/h4-5,8-15,18H,1-3,6-7,16-17H2,(H,26,27)
InChIKeyBQDORNFLMAKASC-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.12
Rot. Bonds6

About N-[[3-(cyclohexylmethoxy)phenyl]methyl]quinoline-6-carboxamide

N-[[3-(cyclohexylmethoxy)phenyl]methyl]quinoline-6-carboxamide (PubChem CID 59192104) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[[3-(cyclohexylmethoxy)phenyl]methyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[[3-(cyclohexylmethoxy)phenyl]methyl]quinoline-6-carboxamide
PubChem CID59192104
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC NameN-[[3-(cyclohexylmethoxy)phenyl]methyl]quinoline-6-carboxamide
SMILESO=C(NCc1cccc(OCC2CCCCC2)c1)c1ccc2ncccc2c1
InChIInChI=1S/C24H26N2O2/c27-24(21-11-12-23-20(15-21)9-5-13-25-23)26-16-19-8-4-10-22(14-19)28-17-18-6-2-1-3-7-18/h4-5,8-15,18H,1-3,6-7,16-17H2,(H,26,27)
InChIKeyBQDORNFLMAKASC-UHFFFAOYSA-N
XLogP5.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3-pyrrol-1-ylpropoxy)phenyl]methyl]quinoline-6-carboxamide
CID 59192260
N-[(3-pent-3-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68734738
N-[[3-[(E)-oct-5-enoxy]phenyl]methyl]quinoline-6-carboxamide
CID 68781419
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
N-[(3-hept-5-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68732822
N-[(3-oct-6-ynoxyphenyl)methyl]quinoline-6-carboxamide
CID 68733091
N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192094
N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide
CID 58387959
N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192187
N-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide
CID 59192286
N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
CID 58387946
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclohexylmethoxy)phenyl]methyl]quinoline-6-carboxamide?
The IUPAC name of N-[[3-(cyclohexylmethoxy)phenyl]methyl]quinoline-6-carboxamide (CID 59192104) is N-[[3-(cyclohexylmethoxy)phenyl]methyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[[3-(cyclohexylmethoxy)phenyl]methyl]quinoline-6-carboxamide?
The canonical SMILES for N-[[3-(cyclohexylmethoxy)phenyl]methyl]quinoline-6-carboxamide is O=C(NCc1cccc(OCC2CCCCC2)c1)c1ccc2ncccc2c1.
What is the InChIKey of N-[[3-(cyclohexylmethoxy)phenyl]methyl]quinoline-6-carboxamide?
The InChIKey is BQDORNFLMAKASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c27-24(21-11-12-23-20(15-21)9-5-13-25-23)26-16-19-8-4-10-22(14-19)28-17-18-6-2-1-3-7-18/h4-5,8-15,18H,1-3,6-7,16-17H2,(H,26,27).
What are the key properties of N-[[3-(cyclohexylmethoxy)phenyl]methyl]quinoline-6-carboxamide?
N-[[3-(cyclohexylmethoxy)phenyl]methyl]quinoline-6-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclohexylmethoxy)phenyl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 59192104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).