methyl 2-[(7-methoxyquinolin-4-yl)methylamino]-2-methylpropanoate

C16H20N2O3 — CID 59694298

IUPACmethyl 2-[(7-methoxyquinolin-4-yl)methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCc1ccnc2cc(OC)ccc12
InChIInChI=1S/C16H20N2O3/c1-16(2,15(19)21-4)18-10-11-7-8-17-14-9-12(20-3)5-6-13(11)14/h5-9,18H,10H2,1-4H3
InChIKeyFSVAXDUHIJZKJR-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.28
Rot. Bonds5

About methyl 2-[(7-methoxyquinolin-4-yl)methylamino]-2-methylpropanoate

methyl 2-[(7-methoxyquinolin-4-yl)methylamino]-2-methylpropanoate (PubChem CID 59694298) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 2-[(7-methoxyquinolin-4-yl)methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(7-methoxyquinolin-4-yl)methylamino]-2-methylpropanoate
PubChem CID59694298
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namemethyl 2-[(7-methoxyquinolin-4-yl)methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCc1ccnc2cc(OC)ccc12
InChIInChI=1S/C16H20N2O3/c1-16(2,15(19)21-4)18-10-11-7-8-17-14-9-12(20-3)5-6-13(11)14/h5-9,18H,10H2,1-4H3
InChIKeyFSVAXDUHIJZKJR-UHFFFAOYSA-N
XLogP2.28
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
N-[4-(fluoromethoxy)phenyl]-4-(7-methoxyquinolin-4-yl)-2,2-dimethylbutanamide
CID 70849373
4,7-dimethoxyquinoline
CID 20743716
3-[4-[(7-methoxyquinolin-4-yl)methyl]anilino]propan-1-ol
CID 142073498
2-(7-methoxyquinolin-4-yl)-1-thiomorpholin-4-ylethanone
CID 157041033
4-methoxy-N-(quinolin-4-ylmethyl)benzamide
CID 110734220
methyl 2-methyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 43725845
methyl 2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]-2-methylpropanoate
CID 70239669
1-(7-methoxyquinolin-4-yl)-3-(6-methyl-2-pyridinyl)propan-2-one
CID 159457139
methyl 2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-methylpropanoate
CID 43726123
6-[(7-methoxyquinolin-4-yl)amino]hexan-1-ol
CID 21424689

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-methoxyquinolin-4-yl)methylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(7-methoxyquinolin-4-yl)methylamino]-2-methylpropanoate (CID 59694298) is methyl 2-[(7-methoxyquinolin-4-yl)methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(7-methoxyquinolin-4-yl)methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(7-methoxyquinolin-4-yl)methylamino]-2-methylpropanoate is COC(=O)C(C)(C)NCc1ccnc2cc(OC)ccc12.
What is the InChIKey of methyl 2-[(7-methoxyquinolin-4-yl)methylamino]-2-methylpropanoate?
The InChIKey is FSVAXDUHIJZKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-16(2,15(19)21-4)18-10-11-7-8-17-14-9-12(20-3)5-6-13(11)14/h5-9,18H,10H2,1-4H3.
What are the key properties of methyl 2-[(7-methoxyquinolin-4-yl)methylamino]-2-methylpropanoate?
methyl 2-[(7-methoxyquinolin-4-yl)methylamino]-2-methylpropanoate has a molecular weight of 288.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7-methoxyquinolin-4-yl)methylamino]-2-methylpropanoate is sourced from PubChem (CID 59694298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).