methyl 5-[[(7-chloroquinolin-4-yl)amino]methyl]-2-methoxybenzoate

C19H17ClN2O3 — CID 9112911

IUPACmethyl 5-[[(7-chloroquinolin-4-yl)amino]methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNc2ccnc3cc(Cl)ccc23)ccc1OC
InChIInChI=1S/C19H17ClN2O3/c1-24-18-6-3-12(9-15(18)19(23)25-2)11-22-16-7-8-21-17-10-13(20)4-5-14(16)17/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyJJAVQIFDEZFODA-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.30
Rot. Bonds5

About methyl 5-[[(7-chloroquinolin-4-yl)amino]methyl]-2-methoxybenzoate

methyl 5-[[(7-chloroquinolin-4-yl)amino]methyl]-2-methoxybenzoate (PubChem CID 9112911) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is methyl 5-[[(7-chloroquinolin-4-yl)amino]methyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[(7-chloroquinolin-4-yl)amino]methyl]-2-methoxybenzoate
PubChem CID9112911
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Namemethyl 5-[[(7-chloroquinolin-4-yl)amino]methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNc2ccnc3cc(Cl)ccc23)ccc1OC
InChIInChI=1S/C19H17ClN2O3/c1-24-18-6-3-12(9-15(18)19(23)25-2)11-22-16-7-8-21-17-10-13(20)4-5-14(16)17/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyJJAVQIFDEZFODA-UHFFFAOYSA-N
XLogP4.30
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[(7-chloroquinolin-4-yl)amino]methyl]-2-methoxybenzoate with MolForge

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Related Compounds

N-[2-methoxy-5-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]acetamide
CID 133400854
7-chloro-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]quinolin-4-amine
CID 6048101
4-[(5-chloro-2-methoxyanilino)methyl]benzoic acid
CID 39398714
3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307879
2-[[(7-chloroquinolin-4-yl)amino]methyl]butanoic acid
CID 65223950
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
methyl 5-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-2-methoxybenzoate
CID 133303243
CID 10433026
CID 10433026
methyl 3-[(7-chloroquinolin-4-yl)amino]-4-methylbenzoate
CID 172907299
3-[2-[(7-chloroquinolin-4-yl)amino]ethylamino]-4-methoxycyclobut-3-ene-1,2-dione
CID 73349406
N-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-7-chloroquinolin-4-amine
CID 68634794
N-[[3-[[benzyl(methyl)amino]methyl]phenyl]methyl]-7-chloroquinolin-4-amine
CID 44819633

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(7-chloroquinolin-4-yl)amino]methyl]-2-methoxybenzoate?
The IUPAC name of methyl 5-[[(7-chloroquinolin-4-yl)amino]methyl]-2-methoxybenzoate (CID 9112911) is methyl 5-[[(7-chloroquinolin-4-yl)amino]methyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[[(7-chloroquinolin-4-yl)amino]methyl]-2-methoxybenzoate?
The canonical SMILES for methyl 5-[[(7-chloroquinolin-4-yl)amino]methyl]-2-methoxybenzoate is COC(=O)c1cc(CNc2ccnc3cc(Cl)ccc23)ccc1OC.
What is the InChIKey of methyl 5-[[(7-chloroquinolin-4-yl)amino]methyl]-2-methoxybenzoate?
The InChIKey is JJAVQIFDEZFODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-24-18-6-3-12(9-15(18)19(23)25-2)11-22-16-7-8-21-17-10-13(20)4-5-14(16)17/h3-10H,11H2,1-2H3,(H,21,22).
What are the key properties of methyl 5-[[(7-chloroquinolin-4-yl)amino]methyl]-2-methoxybenzoate?
methyl 5-[[(7-chloroquinolin-4-yl)amino]methyl]-2-methoxybenzoate has a molecular weight of 356.81 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(7-chloroquinolin-4-yl)amino]methyl]-2-methoxybenzoate is sourced from PubChem (CID 9112911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).