2-[(3-chloro-6-methoxyquinolin-4-yl)-methylamino]-N-cyclopropylacetamide

C16H18ClN3O2 — CID 138052900

IUPAC2-[(3-chloro-6-methoxyquinolin-4-yl)-methylamino]-N-cyclopropylacetamide
SMILESCOc1ccc2ncc(Cl)c(N(C)CC(=O)NC3CC3)c2c1
InChIInChI=1S/C16H18ClN3O2/c1-20(9-15(21)19-10-3-4-10)16-12-7-11(22-2)5-6-14(12)18-8-13(16)17/h5-8,10H,3-4,9H2,1-2H3,(H,19,21)
InChIKeyKCTDWHRVCVBJQA-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.61
Rot. Bonds5

About 2-[(3-chloro-6-methoxyquinolin-4-yl)-methylamino]-N-cyclopropylacetamide

2-[(3-chloro-6-methoxyquinolin-4-yl)-methylamino]-N-cyclopropylacetamide (PubChem CID 138052900) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-[(3-chloro-6-methoxyquinolin-4-yl)-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(3-chloro-6-methoxyquinolin-4-yl)-methylamino]-N-cyclopropylacetamide
PubChem CID138052900
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name2-[(3-chloro-6-methoxyquinolin-4-yl)-methylamino]-N-cyclopropylacetamide
SMILESCOc1ccc2ncc(Cl)c(N(C)CC(=O)NC3CC3)c2c1
InChIInChI=1S/C16H18ClN3O2/c1-20(9-15(21)19-10-3-4-10)16-12-7-11(22-2)5-6-14(12)18-8-13(16)17/h5-8,10H,3-4,9H2,1-2H3,(H,19,21)
InChIKeyKCTDWHRVCVBJQA-UHFFFAOYSA-N
XLogP2.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110769934
tert-butyl N-[4-[3-(3-chloro-6-methoxyquinolin-4-yl)prop-1-enyl]cyclohexyl]carbamate
CID 71118498
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]-methylamino]-N-cyclopropylacetamide
CID 80821198
2-(2-chloro-4-methoxyphenyl)-N-(4-ethylcyclohexyl)acetamide
CID 69042089
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 838669
tert-butyl 6-[(3-chloro-6-methoxyquinolin-4-yl)oxymethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 69470603
2-chloro-N-(4-chloro-6-methoxyquinolin-3-yl)acetamide
CID 89139592
N-cyclopentyl-2-(8-methoxy-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetamide
CID 20952333
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 894252
N-cyclopropyl-3-(2-formyl-4-methoxyphenoxy)propanamide
CID 55098349
N-cyclohexyl-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212089

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-6-methoxyquinolin-4-yl)-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(3-chloro-6-methoxyquinolin-4-yl)-methylamino]-N-cyclopropylacetamide (CID 138052900) is 2-[(3-chloro-6-methoxyquinolin-4-yl)-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(3-chloro-6-methoxyquinolin-4-yl)-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(3-chloro-6-methoxyquinolin-4-yl)-methylamino]-N-cyclopropylacetamide is COc1ccc2ncc(Cl)c(N(C)CC(=O)NC3CC3)c2c1.
What is the InChIKey of 2-[(3-chloro-6-methoxyquinolin-4-yl)-methylamino]-N-cyclopropylacetamide?
The InChIKey is KCTDWHRVCVBJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-20(9-15(21)19-10-3-4-10)16-12-7-11(22-2)5-6-14(12)18-8-13(16)17/h5-8,10H,3-4,9H2,1-2H3,(H,19,21).
What are the key properties of 2-[(3-chloro-6-methoxyquinolin-4-yl)-methylamino]-N-cyclopropylacetamide?
2-[(3-chloro-6-methoxyquinolin-4-yl)-methylamino]-N-cyclopropylacetamide has a molecular weight of 319.79 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-6-methoxyquinolin-4-yl)-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 138052900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).