N-(1-benzofuran-3-ylmethyl)quinolin-6-amine

C18H14N2O — CID 80700880

IUPACN-(1-benzofuran-3-ylmethyl)quinolin-6-amine
SMILESc1cnc2ccc(NCc3coc4ccccc34)cc2c1
InChIInChI=1S/C18H14N2O/c1-2-6-18-16(5-1)14(12-21-18)11-20-15-7-8-17-13(10-15)4-3-9-19-17/h1-10,12,20H,11H2
InChIKeyOUUYTQCAGPPGTL-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.59
Rot. Bonds3

About N-(1-benzofuran-3-ylmethyl)quinolin-6-amine

N-(1-benzofuran-3-ylmethyl)quinolin-6-amine (PubChem CID 80700880) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)quinolin-6-amine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)quinolin-6-amine
PubChem CID80700880
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC NameN-(1-benzofuran-3-ylmethyl)quinolin-6-amine
SMILESc1cnc2ccc(NCc3coc4ccccc34)cc2c1
InChIInChI=1S/C18H14N2O/c1-2-6-18-16(5-1)14(12-21-18)11-20-15-7-8-17-13(10-15)4-3-9-19-17/h1-10,12,20H,11H2
InChIKeyOUUYTQCAGPPGTL-UHFFFAOYSA-N
XLogP4.59
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indol-3-ylmethyl)quinolin-6-amine
CID 62635279
N-(1-benzofuran-3-ylmethyl)-6-bromopyridin-3-amine
CID 103934299
N-(1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 80700752
N-(furan-3-ylmethyl)quinolin-6-amine
CID 63204697
N-[(2,5-difluorophenyl)methyl]quinolin-6-amine
CID 62634585
3-(1-benzofuran-3-ylmethylamino)benzoic acid
CID 80701632
N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine
CID 62634241
N-(pyridin-3-ylmethyl)quinolin-6-amine
CID 53392291
N-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine
CID 165347661
N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-6-amine
CID 62743051
N-[(5-chlorothiophen-2-yl)methyl]quinolin-6-amine
CID 62636140
N-(3,3-dimethylbutyl)quinolin-6-amine
CID 62950963

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)quinolin-6-amine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)quinolin-6-amine (CID 80700880) is N-(1-benzofuran-3-ylmethyl)quinolin-6-amine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)quinolin-6-amine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)quinolin-6-amine is c1cnc2ccc(NCc3coc4ccccc34)cc2c1.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)quinolin-6-amine?
The InChIKey is OUUYTQCAGPPGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-2-6-18-16(5-1)14(12-21-18)11-20-15-7-8-17-13(10-15)4-3-9-19-17/h1-10,12,20H,11H2.
What are the key properties of N-(1-benzofuran-3-ylmethyl)quinolin-6-amine?
N-(1-benzofuran-3-ylmethyl)quinolin-6-amine has a molecular weight of 274.32 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)quinolin-6-amine is sourced from PubChem (CID 80700880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).