methyl 2-(cyclopropylmethylamino)-2-quinolin-8-ylacetate

C16H18N2O2 — CID 63969784

IUPACmethyl 2-(cyclopropylmethylamino)-2-quinolin-8-ylacetate
SMILESCOC(=O)C(NCC1CC1)c1cccc2cccnc12
InChIInChI=1S/C16H18N2O2/c1-20-16(19)15(18-10-11-7-8-11)13-6-2-4-12-5-3-9-17-14(12)13/h2-6,9,11,15,18H,7-8,10H2,1H3
InChIKeyUZKIHKBQUXWKFM-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.45
Rot. Bonds5

About methyl 2-(cyclopropylmethylamino)-2-quinolin-8-ylacetate

methyl 2-(cyclopropylmethylamino)-2-quinolin-8-ylacetate (PubChem CID 63969784) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 2-(cyclopropylmethylamino)-2-quinolin-8-ylacetate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylmethylamino)-2-quinolin-8-ylacetate
PubChem CID63969784
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namemethyl 2-(cyclopropylmethylamino)-2-quinolin-8-ylacetate
SMILESCOC(=O)C(NCC1CC1)c1cccc2cccnc12
InChIInChI=1S/C16H18N2O2/c1-20-16(19)15(18-10-11-7-8-11)13-6-2-4-12-5-3-9-17-14(12)13/h2-6,9,11,15,18H,7-8,10H2,1H3
InChIKeyUZKIHKBQUXWKFM-UHFFFAOYSA-N
XLogP2.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(cyclopropylmethylamino)-2-quinolin-8-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-hydroxy-2-quinolin-8-ylacetate
CID 63968731
methyl 4-amino-3-quinolin-8-ylbutanoate
CID 66098918
methyl 4-amino-3-quinolin-8-ylpentanoate
CID 66097911
(3-ethylcyclopentyl)-quinolin-8-ylmethanamine
CID 81231414
(3,5-dimethylcyclohexyl)-quinolin-8-ylmethanamine
CID 105154267
2-cyclopentyl-1-quinolin-8-ylethanol
CID 65149248
[1-quinolin-8-yl-2-(thian-4-yl)ethyl]hydrazine
CID 105327477
ethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate
CID 65234270
1-cyclopropyl-N-methyl-1-quinolin-8-ylmethanamine
CID 81220023
ethyl 2-fluoro-2-quinolin-8-ylacetate
CID 81224221
ethyl 3-(methylamino)-3-quinolin-8-ylpropanoate
CID 65236794
1-cyclopentyl-N-methyl-1-quinolin-8-ylmethanamine
CID 81231662

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylmethylamino)-2-quinolin-8-ylacetate?
The IUPAC name of methyl 2-(cyclopropylmethylamino)-2-quinolin-8-ylacetate (CID 63969784) is methyl 2-(cyclopropylmethylamino)-2-quinolin-8-ylacetate.
What is the SMILES notation for methyl 2-(cyclopropylmethylamino)-2-quinolin-8-ylacetate?
The canonical SMILES for methyl 2-(cyclopropylmethylamino)-2-quinolin-8-ylacetate is COC(=O)C(NCC1CC1)c1cccc2cccnc12.
What is the InChIKey of methyl 2-(cyclopropylmethylamino)-2-quinolin-8-ylacetate?
The InChIKey is UZKIHKBQUXWKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-20-16(19)15(18-10-11-7-8-11)13-6-2-4-12-5-3-9-17-14(12)13/h2-6,9,11,15,18H,7-8,10H2,1H3.
What are the key properties of methyl 2-(cyclopropylmethylamino)-2-quinolin-8-ylacetate?
methyl 2-(cyclopropylmethylamino)-2-quinolin-8-ylacetate has a molecular weight of 270.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylmethylamino)-2-quinolin-8-ylacetate is sourced from PubChem (CID 63969784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).