N-[[3-(3-pyrrol-1-ylpropoxy)phenyl]methyl]quinoline-6-carboxamide

C24H23N3O2 — CID 59192260

IUPACN-[[3-(3-pyrrol-1-ylpropoxy)phenyl]methyl]quinoline-6-carboxamide
SMILESO=C(NCc1cccc(OCCCn2cccc2)c1)c1ccc2ncccc2c1
InChIInChI=1S/C24H23N3O2/c28-24(21-9-10-23-20(17-21)7-4-11-25-23)26-18-19-6-3-8-22(16-19)29-15-5-14-27-12-1-2-13-27/h1-4,6-13,16-17H,5,14-15,18H2,(H,26,28)
InChIKeyLNAPJHUHPWAJJO-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.44
Rot. Bonds8

About N-[[3-(3-pyrrol-1-ylpropoxy)phenyl]methyl]quinoline-6-carboxamide

N-[[3-(3-pyrrol-1-ylpropoxy)phenyl]methyl]quinoline-6-carboxamide (PubChem CID 59192260) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[[3-(3-pyrrol-1-ylpropoxy)phenyl]methyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-pyrrol-1-ylpropoxy)phenyl]methyl]quinoline-6-carboxamide
PubChem CID59192260
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC NameN-[[3-(3-pyrrol-1-ylpropoxy)phenyl]methyl]quinoline-6-carboxamide
SMILESO=C(NCc1cccc(OCCCn2cccc2)c1)c1ccc2ncccc2c1
InChIInChI=1S/C24H23N3O2/c28-24(21-9-10-23-20(17-21)7-4-11-25-23)26-18-19-6-3-8-22(16-19)29-15-5-14-27-12-1-2-13-27/h1-4,6-13,16-17H,5,14-15,18H2,(H,26,28)
InChIKeyLNAPJHUHPWAJJO-UHFFFAOYSA-N
XLogP4.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.44
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

N-[(3-hept-5-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68732822
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-oct-6-ynoxyphenyl)methyl]quinoline-6-carboxamide
CID 68733091
N-[[3-(cyclohexylmethoxy)phenyl]methyl]quinoline-6-carboxamide
CID 59192104
N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192120
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
N-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide
CID 59192286
N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192187
N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192094
N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide
CID 58387959
N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
CID 58387946

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-pyrrol-1-ylpropoxy)phenyl]methyl]quinoline-6-carboxamide?
The IUPAC name of N-[[3-(3-pyrrol-1-ylpropoxy)phenyl]methyl]quinoline-6-carboxamide (CID 59192260) is N-[[3-(3-pyrrol-1-ylpropoxy)phenyl]methyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[[3-(3-pyrrol-1-ylpropoxy)phenyl]methyl]quinoline-6-carboxamide?
The canonical SMILES for N-[[3-(3-pyrrol-1-ylpropoxy)phenyl]methyl]quinoline-6-carboxamide is O=C(NCc1cccc(OCCCn2cccc2)c1)c1ccc2ncccc2c1.
What is the InChIKey of N-[[3-(3-pyrrol-1-ylpropoxy)phenyl]methyl]quinoline-6-carboxamide?
The InChIKey is LNAPJHUHPWAJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c28-24(21-9-10-23-20(17-21)7-4-11-25-23)26-18-19-6-3-8-22(16-19)29-15-5-14-27-12-1-2-13-27/h1-4,6-13,16-17H,5,14-15,18H2,(H,26,28).
What are the key properties of N-[[3-(3-pyrrol-1-ylpropoxy)phenyl]methyl]quinoline-6-carboxamide?
N-[[3-(3-pyrrol-1-ylpropoxy)phenyl]methyl]quinoline-6-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-pyrrol-1-ylpropoxy)phenyl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 59192260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).