N-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide

C19H14N2O — CID 59192286

IUPACN-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide
SMILESC#Cc1cccc(CNC(=O)c2ccc3ncccc3c2)c1
InChIInChI=1S/C19H14N2O/c1-2-14-5-3-6-15(11-14)13-21-19(22)17-8-9-18-16(12-17)7-4-10-20-18/h1,3-12H,13H2,(H,21,22)
InChIKeyCPWLLVQCCONIQB-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.15
Rot. Bonds3

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

N-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide (PubChem CID 59192286) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide
PubChem CID59192286
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC NameN-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide
SMILESC#Cc1cccc(CNC(=O)c2ccc3ncccc3c2)c1
InChIInChI=1S/C19H14N2O/c1-2-14-5-3-6-15(11-14)13-21-19(22)17-8-9-18-16(12-17)7-4-10-20-18/h1,3-12H,13H2,(H,21,22)
InChIKeyCPWLLVQCCONIQB-UHFFFAOYSA-N
XLogP3.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192094
N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide
CID 58387959
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
CID 58387946
N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide
CID 56943128
N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192187
N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192120
N-[(5-benzylthiophen-2-yl)methyl]quinoline-6-carboxamide
CID 58388064
N-[[3-(cyclohexylmethoxy)phenyl]methyl]quinoline-6-carboxamide
CID 59192104
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide?
The IUPAC name of N-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide (CID 59192286) is N-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide?
The canonical SMILES for N-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide is C#Cc1cccc(CNC(=O)c2ccc3ncccc3c2)c1.
What is the InChIKey of N-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide?
The InChIKey is CPWLLVQCCONIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c1-2-14-5-3-6-15(11-14)13-21-19(22)17-8-9-18-16(12-17)7-4-10-20-18/h1,3-12H,13H2,(H,21,22).
What are the key properties of N-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide?
N-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide is sourced from PubChem (CID 59192286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).