N-[[4-(furan-2-ylmethoxy)phenyl]methyl]quinoline-6-carboxamide

C22H18N2O3 — CID 58388068

IUPACN-[[4-(furan-2-ylmethoxy)phenyl]methyl]quinoline-6-carboxamide
SMILESO=C(NCc1ccc(OCc2ccco2)cc1)c1ccc2ncccc2c1
InChIInChI=1S/C22H18N2O3/c25-22(18-7-10-21-17(13-18)3-1-11-23-21)24-14-16-5-8-19(9-6-16)27-15-20-4-2-12-26-20/h1-13H,14-15H2,(H,24,25)
InChIKeyBZURSDDKLQFQEW-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.34
Rot. Bonds6

About N-[[4-(furan-2-ylmethoxy)phenyl]methyl]quinoline-6-carboxamide

N-[[4-(furan-2-ylmethoxy)phenyl]methyl]quinoline-6-carboxamide (PubChem CID 58388068) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[[4-(furan-2-ylmethoxy)phenyl]methyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(furan-2-ylmethoxy)phenyl]methyl]quinoline-6-carboxamide
PubChem CID58388068
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-[[4-(furan-2-ylmethoxy)phenyl]methyl]quinoline-6-carboxamide
SMILESO=C(NCc1ccc(OCc2ccco2)cc1)c1ccc2ncccc2c1
InChIInChI=1S/C22H18N2O3/c25-22(18-7-10-21-17(13-18)3-1-11-23-21)24-14-16-5-8-19(9-6-16)27-15-20-4-2-12-26-20/h1-13H,14-15H2,(H,24,25)
InChIKeyBZURSDDKLQFQEW-UHFFFAOYSA-N
XLogP4.34
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
CID 58387946
N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192187
N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192120
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide
CID 56943128
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
N-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide
CID 59192286
N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide
CID 58387959
N-[(2,2-dimethyl-1,3-benzodioxol-5-yl)methyl]quinoline-6-carboxamide
CID 143817195
N-(1,3-benzodioxol-5-ylmethyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 25274856
N-[(4-methoxyphenyl)methyl]-2-quinolin-6-ylprop-2-enamide
CID 25115005

Frequently Asked Questions

What is the IUPAC name of N-[[4-(furan-2-ylmethoxy)phenyl]methyl]quinoline-6-carboxamide?
The IUPAC name of N-[[4-(furan-2-ylmethoxy)phenyl]methyl]quinoline-6-carboxamide (CID 58388068) is N-[[4-(furan-2-ylmethoxy)phenyl]methyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[[4-(furan-2-ylmethoxy)phenyl]methyl]quinoline-6-carboxamide?
The canonical SMILES for N-[[4-(furan-2-ylmethoxy)phenyl]methyl]quinoline-6-carboxamide is O=C(NCc1ccc(OCc2ccco2)cc1)c1ccc2ncccc2c1.
What is the InChIKey of N-[[4-(furan-2-ylmethoxy)phenyl]methyl]quinoline-6-carboxamide?
The InChIKey is BZURSDDKLQFQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-22(18-7-10-21-17(13-18)3-1-11-23-21)24-14-16-5-8-19(9-6-16)27-15-20-4-2-12-26-20/h1-13H,14-15H2,(H,24,25).
What are the key properties of N-[[4-(furan-2-ylmethoxy)phenyl]methyl]quinoline-6-carboxamide?
N-[[4-(furan-2-ylmethoxy)phenyl]methyl]quinoline-6-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(furan-2-ylmethoxy)phenyl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 58388068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).