2-amino-N-[4-chloro-2-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide

C21H22ClN3O3 — CID 54560515

IUPAC2-amino-N-[4-chloro-2-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
SMILESCOc1c(N(C)C(=O)CN)ccc(Cl)c1COc1cccc2ccc(C)nc12
InChIInChI=1S/C21H22ClN3O3/c1-13-7-8-14-5-4-6-18(20(14)24-13)28-12-15-16(22)9-10-17(21(15)27-3)25(2)19(26)11-23/h4-10H,11-12,23H2,1-3H3
InChIKeyZQFDXLZCKXADRC-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.71
Rot. Bonds6

About 2-amino-N-[4-chloro-2-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide

2-amino-N-[4-chloro-2-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide (PubChem CID 54560515) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 2-amino-N-[4-chloro-2-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[4-chloro-2-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
PubChem CID54560515
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name2-amino-N-[4-chloro-2-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
SMILESCOc1c(N(C)C(=O)CN)ccc(Cl)c1COc1cccc2ccc(C)nc12
InChIInChI=1S/C21H22ClN3O3/c1-13-7-8-14-5-4-6-18(20(14)24-13)28-12-15-16(22)9-10-17(21(15)27-3)25(2)19(26)11-23/h4-10H,11-12,23H2,1-3H3
InChIKeyZQFDXLZCKXADRC-UHFFFAOYSA-N
XLogP3.71
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylpropanamide
CID 19603427
2-amino-N-[4-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]-2-propoxyphenyl]-N-methylacetamide
CID 22008965
2-[(2-bromoacetyl)amino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 19603254
2-amino-N-[2,4-dichloro-3-[(3-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 67736035
2-amino-N-[2,4-dichloro-3-[(1,2-dimethylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide
CID 15462176
2-[[[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-methylcarbamoyl]amino]acetic acid
CID 19603415
2-amino-N-[2,4-dichloro-3-[(2-methoxy-1-methylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide
CID 10764741
6-[carbamoyl-[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 67697001
N-[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]-3-phenylprop-2-enamide;hydrochloride
CID 70180688
(E)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]-3-(4-methylphenyl)prop-2-enamide;hydrochloride
CID 22112935
N-[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]-3-(4-methylphenyl)prop-2-enamide;hydrochloride
CID 70180718
N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methyl-2-(pyridin-2-ylcarbamoylamino)acetamide
CID 22113049

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-chloro-2-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[4-chloro-2-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide (CID 54560515) is 2-amino-N-[4-chloro-2-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[4-chloro-2-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[4-chloro-2-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide is COc1c(N(C)C(=O)CN)ccc(Cl)c1COc1cccc2ccc(C)nc12.
What is the InChIKey of 2-amino-N-[4-chloro-2-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide?
The InChIKey is ZQFDXLZCKXADRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-13-7-8-14-5-4-6-18(20(14)24-13)28-12-15-16(22)9-10-17(21(15)27-3)25(2)19(26)11-23/h4-10H,11-12,23H2,1-3H3.
What are the key properties of 2-amino-N-[4-chloro-2-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide?
2-amino-N-[4-chloro-2-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide has a molecular weight of 399.88 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-chloro-2-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide is sourced from PubChem (CID 54560515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).