N-[(3-chlorophenyl)-quinolin-7-ylmethyl]ethanamine

C18H17ClN2 — CID 81210398

IUPACN-[(3-chlorophenyl)-quinolin-7-ylmethyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)c1ccc2cccnc2c1
InChIInChI=1S/C18H17ClN2/c1-2-20-18(14-5-3-7-16(19)11-14)15-9-8-13-6-4-10-21-17(13)12-15/h3-12,18,20H,2H2,1H3
InChIKeyGKPOTYAWHJNIGF-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.59
Rot. Bonds4

About N-[(3-chlorophenyl)-quinolin-7-ylmethyl]ethanamine

N-[(3-chlorophenyl)-quinolin-7-ylmethyl]ethanamine (PubChem CID 81210398) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-quinolin-7-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-quinolin-7-ylmethyl]ethanamine
PubChem CID81210398
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC NameN-[(3-chlorophenyl)-quinolin-7-ylmethyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)c1ccc2cccnc2c1
InChIInChI=1S/C18H17ClN2/c1-2-20-18(14-5-3-7-16(19)11-14)15-9-8-13-6-4-10-21-17(13)12-15/h3-12,18,20H,2H2,1H3
InChIKeyGKPOTYAWHJNIGF-UHFFFAOYSA-N
XLogP4.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)-quinolin-7-ylmethyl]ethanamine
CID 81210647
N-[(2-chlorofuran-3-yl)-quinolin-7-ylmethyl]ethanamine
CID 106692808
N-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine
CID 103444575
N-ethyl-1-quinolin-7-ylethanamine
CID 81221005
N-[pyrazin-2-yl(quinolin-7-yl)methyl]ethanamine
CID 81231514
N-[(4-methyl-2-pyridinyl)-quinolin-7-ylmethyl]ethanamine
CID 81228376
N-[(3-methylphenyl)-quinolin-6-ylmethyl]ethanamine
CID 63095453
N-ethyl-3-quinolin-7-ylbutan-2-amine
CID 81224003
N-[(3-methylthiophen-2-yl)-quinolin-7-ylmethyl]ethanamine
CID 105021434
N-[(4-ethylthiadiazol-5-yl)-quinolin-7-ylmethyl]ethanamine
CID 105172687
N-[(2,5-dibromothiophen-3-yl)-quinolin-7-ylmethyl]ethanamine
CID 107968835
N-[(5-chlorothiophen-2-yl)-quinolin-7-ylmethyl]propan-1-amine
CID 105021397

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-quinolin-7-ylmethyl]ethanamine?
The IUPAC name of N-[(3-chlorophenyl)-quinolin-7-ylmethyl]ethanamine (CID 81210398) is N-[(3-chlorophenyl)-quinolin-7-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)-quinolin-7-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-chlorophenyl)-quinolin-7-ylmethyl]ethanamine is CCNC(c1cccc(Cl)c1)c1ccc2cccnc2c1.
What is the InChIKey of N-[(3-chlorophenyl)-quinolin-7-ylmethyl]ethanamine?
The InChIKey is GKPOTYAWHJNIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-2-20-18(14-5-3-7-16(19)11-14)15-9-8-13-6-4-10-21-17(13)12-15/h3-12,18,20H,2H2,1H3.
What are the key properties of N-[(3-chlorophenyl)-quinolin-7-ylmethyl]ethanamine?
N-[(3-chlorophenyl)-quinolin-7-ylmethyl]ethanamine has a molecular weight of 296.80 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-quinolin-7-ylmethyl]ethanamine is sourced from PubChem (CID 81210398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).