5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine

C17H15ClN2O — CID 60927659

IUPAC5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine
SMILESCOc1ccccc1CNc1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H15ClN2O/c1-21-16-7-3-2-5-12(16)11-20-15-9-8-14(18)13-6-4-10-19-17(13)15/h2-10,20H,11H2,1H3
InChIKeyMPSKMTFGVQEDOA-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.51
Rot. Bonds4

About 5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine

5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine (PubChem CID 60927659) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine.

Molecular Properties

Compound Name5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine
PubChem CID60927659
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine
SMILESCOc1ccccc1CNc1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H15ClN2O/c1-21-16-7-3-2-5-12(16)11-20-15-9-8-14(18)13-6-4-10-19-17(13)15/h2-10,20H,11H2,1H3
InChIKeyMPSKMTFGVQEDOA-UHFFFAOYSA-N
XLogP4.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 60928600
5-chloro-N-[(2,5-difluorophenyl)methyl]quinolin-8-amine
CID 60927464
5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine
CID 63696724
8-chloro-N-[(2-ethylphenyl)methyl]quinolin-5-amine
CID 63445925
5-chloro-N-[(5-methylthiophen-2-yl)methyl]quinolin-8-amine
CID 54862962
5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine
CID 116783860
5-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-8-amine
CID 62741375
5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-8-amine
CID 54862876
3-[[(5-chloroquinolin-8-yl)amino]methyl]thiophene-2-carboxylic acid
CID 103267146
4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 116783853
4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile
CID 60927125
4-bromo-2-chloro-N-[(5-chloroquinolin-8-yl)methyl]aniline
CID 115959103

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine?
The IUPAC name of 5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine (CID 60927659) is 5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine.
What is the SMILES notation for 5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine?
The canonical SMILES for 5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine is COc1ccccc1CNc1ccc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine?
The InChIKey is MPSKMTFGVQEDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-21-16-7-3-2-5-12(16)11-20-15-9-8-14(18)13-6-4-10-19-17(13)15/h2-10,20H,11H2,1H3.
What are the key properties of 5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine?
5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine has a molecular weight of 298.77 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine is sourced from PubChem (CID 60927659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).