N-[(2-chlorofuran-3-yl)-quinolin-7-ylmethyl]ethanamine

C16H15ClN2O — CID 106692808

IUPACN-[(2-chlorofuran-3-yl)-quinolin-7-ylmethyl]ethanamine
SMILESCCNC(c1ccc2cccnc2c1)c1ccoc1Cl
InChIInChI=1S/C16H15ClN2O/c1-2-18-15(13-7-9-20-16(13)17)12-6-5-11-4-3-8-19-14(11)10-12/h3-10,15,18H,2H2,1H3
InChIKeyZQWRKCKABKNVFT-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.18
Rot. Bonds4

About N-[(2-chlorofuran-3-yl)-quinolin-7-ylmethyl]ethanamine

N-[(2-chlorofuran-3-yl)-quinolin-7-ylmethyl]ethanamine (PubChem CID 106692808) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is N-[(2-chlorofuran-3-yl)-quinolin-7-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chlorofuran-3-yl)-quinolin-7-ylmethyl]ethanamine
PubChem CID106692808
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC NameN-[(2-chlorofuran-3-yl)-quinolin-7-ylmethyl]ethanamine
SMILESCCNC(c1ccc2cccnc2c1)c1ccoc1Cl
InChIInChI=1S/C16H15ClN2O/c1-2-18-15(13-7-9-20-16(13)17)12-6-5-11-4-3-8-19-14(11)10-12/h3-10,15,18H,2H2,1H3
InChIKeyZQWRKCKABKNVFT-UHFFFAOYSA-N
XLogP4.18
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)-quinolin-7-ylmethyl]ethanamine
CID 81210398
N-[(2-bromofuran-3-yl)-quinolin-6-ylmethyl]ethanamine
CID 106858324
N-[(4-methyl-2-pyridinyl)-quinolin-7-ylmethyl]ethanamine
CID 81228376
N-[(2,5-dibromothiophen-3-yl)-quinolin-7-ylmethyl]ethanamine
CID 107968835
N-[(3-fluorophenyl)-quinolin-7-ylmethyl]ethanamine
CID 81210647
N-ethyl-1-quinolin-7-ylethanamine
CID 81221005
N-[pyrazin-2-yl(quinolin-7-yl)methyl]ethanamine
CID 81231514
N-[furan-2-yl(quinolin-7-yl)methyl]propan-1-amine
CID 81231383
N-ethyl-3-quinolin-7-ylbutan-2-amine
CID 81224003
N-[(3-methylthiophen-2-yl)-quinolin-7-ylmethyl]ethanamine
CID 105021434
1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81231599
N-[(4-ethylthiadiazol-5-yl)-quinolin-7-ylmethyl]ethanamine
CID 105172687

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorofuran-3-yl)-quinolin-7-ylmethyl]ethanamine?
The IUPAC name of N-[(2-chlorofuran-3-yl)-quinolin-7-ylmethyl]ethanamine (CID 106692808) is N-[(2-chlorofuran-3-yl)-quinolin-7-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2-chlorofuran-3-yl)-quinolin-7-ylmethyl]ethanamine?
The canonical SMILES for N-[(2-chlorofuran-3-yl)-quinolin-7-ylmethyl]ethanamine is CCNC(c1ccc2cccnc2c1)c1ccoc1Cl.
What is the InChIKey of N-[(2-chlorofuran-3-yl)-quinolin-7-ylmethyl]ethanamine?
The InChIKey is ZQWRKCKABKNVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-2-18-15(13-7-9-20-16(13)17)12-6-5-11-4-3-8-19-14(11)10-12/h3-10,15,18H,2H2,1H3.
What are the key properties of N-[(2-chlorofuran-3-yl)-quinolin-7-ylmethyl]ethanamine?
N-[(2-chlorofuran-3-yl)-quinolin-7-ylmethyl]ethanamine has a molecular weight of 286.76 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorofuran-3-yl)-quinolin-7-ylmethyl]ethanamine is sourced from PubChem (CID 106692808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).