(4-chloro-3-methoxyphenyl)-quinolin-5-ylmethanamine

C17H15ClN2O — CID 105164518

IUPAC(4-chloro-3-methoxyphenyl)-quinolin-5-ylmethanamine
SMILESCOc1cc(C(N)c2cccc3ncccc23)ccc1Cl
InChIInChI=1S/C17H15ClN2O/c1-21-16-10-11(7-8-14(16)18)17(19)13-4-2-6-15-12(13)5-3-9-20-15/h2-10,17H,19H2,1H3
InChIKeyDNXQYRSOMXZTGB-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.94
Rot. Bonds3

About (4-chloro-3-methoxyphenyl)-quinolin-5-ylmethanamine

(4-chloro-3-methoxyphenyl)-quinolin-5-ylmethanamine (PubChem CID 105164518) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-quinolin-5-ylmethanamine.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-quinolin-5-ylmethanamine
PubChem CID105164518
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name(4-chloro-3-methoxyphenyl)-quinolin-5-ylmethanamine
SMILESCOc1cc(C(N)c2cccc3ncccc23)ccc1Cl
InChIInChI=1S/C17H15ClN2O/c1-21-16-10-11(7-8-14(16)18)17(19)13-4-2-6-15-12(13)5-3-9-20-15/h2-10,17H,19H2,1H3
InChIKeyDNXQYRSOMXZTGB-UHFFFAOYSA-N
XLogP3.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxy-4-methylphenyl)-quinolin-5-ylmethanamine
CID 105020144
(3-chloro-4-fluorophenyl)-quinolin-5-ylmethanamine
CID 81231315
(2-fluoro-3-methoxyphenyl)-quinolin-5-ylmethanamine
CID 105174775
(2-chlorophenyl)-quinolin-5-ylmethanamine
CID 81231454
(2-chloro-5-fluorophenyl)-quinolin-5-ylmethanamine
CID 105396959
(3,5-difluorophenyl)-quinolin-5-ylmethanamine
CID 81231952
[3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine
CID 67722769
(5-chlorothiophen-2-yl)-quinolin-5-ylmethanamine
CID 115604916
(3-bromo-5-methylphenyl)-quinolin-5-ylmethanamine
CID 105020152
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 79700112
(4-chloro-3-methoxyphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 79699404
(3-methoxy-4-methylphenyl)-quinolin-8-ylmethanamine
CID 105021239

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-quinolin-5-ylmethanamine?
The IUPAC name of (4-chloro-3-methoxyphenyl)-quinolin-5-ylmethanamine (CID 105164518) is (4-chloro-3-methoxyphenyl)-quinolin-5-ylmethanamine.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-quinolin-5-ylmethanamine?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-quinolin-5-ylmethanamine is COc1cc(C(N)c2cccc3ncccc23)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-quinolin-5-ylmethanamine?
The InChIKey is DNXQYRSOMXZTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-21-16-10-11(7-8-14(16)18)17(19)13-4-2-6-15-12(13)5-3-9-20-15/h2-10,17H,19H2,1H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-quinolin-5-ylmethanamine?
(4-chloro-3-methoxyphenyl)-quinolin-5-ylmethanamine has a molecular weight of 298.77 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-quinolin-5-ylmethanamine is sourced from PubChem (CID 105164518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).