methyl 4-[7-chloro-4-[[ethyl(2-methoxyethyl)amino]methyl]quinolin-2-yl]benzoate

C23H25ClN2O3 — CID 171492180

IUPACmethyl 4-[7-chloro-4-[[ethyl(2-methoxyethyl)amino]methyl]quinolin-2-yl]benzoate
SMILESCCN(CCOC)Cc1cc(-c2ccc(C(=O)OC)cc2)nc2cc(Cl)ccc12
InChIInChI=1S/C23H25ClN2O3/c1-4-26(11-12-28-2)15-18-13-21(25-22-14-19(24)9-10-20(18)22)16-5-7-17(8-6-16)23(27)29-3/h5-10,13-14H,4,11-12,15H2,1-3H3
InChIKeyHBJREIOLIURWHR-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.81
Rot. Bonds8

About methyl 4-[7-chloro-4-[[ethyl(2-methoxyethyl)amino]methyl]quinolin-2-yl]benzoate

methyl 4-[7-chloro-4-[[ethyl(2-methoxyethyl)amino]methyl]quinolin-2-yl]benzoate (PubChem CID 171492180) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is methyl 4-[7-chloro-4-[[ethyl(2-methoxyethyl)amino]methyl]quinolin-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[7-chloro-4-[[ethyl(2-methoxyethyl)amino]methyl]quinolin-2-yl]benzoate
PubChem CID171492180
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC Namemethyl 4-[7-chloro-4-[[ethyl(2-methoxyethyl)amino]methyl]quinolin-2-yl]benzoate
SMILESCCN(CCOC)Cc1cc(-c2ccc(C(=O)OC)cc2)nc2cc(Cl)ccc12
InChIInChI=1S/C23H25ClN2O3/c1-4-26(11-12-28-2)15-18-13-21(25-22-14-19(24)9-10-20(18)22)16-5-7-17(8-6-16)23(27)29-3/h5-10,13-14H,4,11-12,15H2,1-3H3
InChIKeyHBJREIOLIURWHR-UHFFFAOYSA-N
XLogP4.81
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[7-chloro-4-[[ethyl(2-methoxyethyl)amino]methyl]quinolin-2-yl]benzoate with MolForge

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Related Compounds

4-[8-chloro-4-[[ethyl(2-methoxyethyl)amino]methyl]quinolin-2-yl]aniline;ethane
CID 145387370
methyl 2-(4-fluorophenyl)-4-propylquinoline-7-carboxylate
CID 122423843
7-chloro-2-phenylquinoline-4-carboxylic acid;deuterium monohydride;methyl 7-chloro-2-phenylquinoline-4-carboxylate
CID 159549627
methyl 4-chloro-3-[[ethyl(2-hydroxyethyl)amino]methyl]benzoate
CID 110027527
N-[(6-chloroquinolin-2-yl)methyl]-N-ethyl-2-methoxyethanamine
CID 91774737
2-(diethylamino)ethyl 4-[(7-chloroquinolin-4-yl)amino]benzoate
CID 54005492
N-[(2-chloroquinolin-3-yl)methyl]-N-ethyl-2-methoxyethanamine
CID 61447959
N'-[(7-chloro-2-phenylquinolin-4-yl)methyl]-N,N,N'-trimethylethane-1,2-diamine;hydrochloride
CID 86272158
3-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]propanoic acid
CID 61010059
methyl 4-[(E)-3-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-propylamino]-3-oxoprop-1-enyl]benzoate
CID 135962334
4-[[bis(2-methoxyethyl)amino]methyl]-3-chlorobenzoic acid
CID 102669921
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147

Frequently Asked Questions

What is the IUPAC name of methyl 4-[7-chloro-4-[[ethyl(2-methoxyethyl)amino]methyl]quinolin-2-yl]benzoate?
The IUPAC name of methyl 4-[7-chloro-4-[[ethyl(2-methoxyethyl)amino]methyl]quinolin-2-yl]benzoate (CID 171492180) is methyl 4-[7-chloro-4-[[ethyl(2-methoxyethyl)amino]methyl]quinolin-2-yl]benzoate.
What is the SMILES notation for methyl 4-[7-chloro-4-[[ethyl(2-methoxyethyl)amino]methyl]quinolin-2-yl]benzoate?
The canonical SMILES for methyl 4-[7-chloro-4-[[ethyl(2-methoxyethyl)amino]methyl]quinolin-2-yl]benzoate is CCN(CCOC)Cc1cc(-c2ccc(C(=O)OC)cc2)nc2cc(Cl)ccc12.
What is the InChIKey of methyl 4-[7-chloro-4-[[ethyl(2-methoxyethyl)amino]methyl]quinolin-2-yl]benzoate?
The InChIKey is HBJREIOLIURWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c1-4-26(11-12-28-2)15-18-13-21(25-22-14-19(24)9-10-20(18)22)16-5-7-17(8-6-16)23(27)29-3/h5-10,13-14H,4,11-12,15H2,1-3H3.
What are the key properties of methyl 4-[7-chloro-4-[[ethyl(2-methoxyethyl)amino]methyl]quinolin-2-yl]benzoate?
methyl 4-[7-chloro-4-[[ethyl(2-methoxyethyl)amino]methyl]quinolin-2-yl]benzoate has a molecular weight of 412.92 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[7-chloro-4-[[ethyl(2-methoxyethyl)amino]methyl]quinolin-2-yl]benzoate is sourced from PubChem (CID 171492180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).