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

C20H19Cl2N3O2 — CID 67736035

IUPAC2-amino-N-[2,4-dichloro-3-[(3-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
SMILESCc1cnc2c(OCc3c(Cl)ccc(N(C)C(=O)CN)c3Cl)cccc2c1
InChIInChI=1S/C20H19Cl2N3O2/c1-12-8-13-4-3-5-17(20(13)24-10-12)27-11-14-15(21)6-7-16(19(14)22)25(2)18(26)9-23/h3-8,10H,9,11,23H2,1-2H3
InChIKeySBKIXQDOILLJLQ-UHFFFAOYSA-N
MW404.30 g/mol
LogP4.35
Rot. Bonds5

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

2-amino-N-[2,4-dichloro-3-[(3-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide (PubChem CID 67736035) has the molecular formula C20H19Cl2N3O2 and a molecular weight of 404.30 g/mol. Its IUPAC name is 2-amino-N-[2,4-dichloro-3-[(3-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[2,4-dichloro-3-[(3-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
PubChem CID67736035
Molecular FormulaC20H19Cl2N3O2
Molecular Weight404.30 g/mol
Exact Mass403.09
IUPAC Name2-amino-N-[2,4-dichloro-3-[(3-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
SMILESCc1cnc2c(OCc3c(Cl)ccc(N(C)C(=O)CN)c3Cl)cccc2c1
InChIInChI=1S/C20H19Cl2N3O2/c1-12-8-13-4-3-5-17(20(13)24-10-12)27-11-14-15(21)6-7-16(19(14)22)25(2)18(26)9-23/h3-8,10H,9,11,23H2,1-2H3
InChIKeySBKIXQDOILLJLQ-UHFFFAOYSA-N
XLogP4.35
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2,4-dichloro-3-[(1,2-dimethylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide
CID 15462176
3-amino-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylpropanamide
CID 19603427
2-amino-N-[2,4-dichloro-3-[(2-methoxy-1-methylbenzimidazol-4-yl)oxymethyl]phenyl]-N-methylacetamide
CID 10764741
2-amino-N-[4-chloro-2-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 54560515
2-amino-N-[2,4-dichloro-3-[(2-methyl-1H-imidazol-5-yl)oxymethyl]phenyl]-N-methylacetamide
CID 57025898
2-[(2-bromoacetyl)amino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 19603254
(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
2-[[[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-methylcarbamoyl]amino]acetic acid
CID 19603415
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-(3-methyl-4-nitrophenyl)prop-2-enamide
CID 19603264
2-[(3-acetylphenyl)carbamoylamino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 22113194

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2,4-dichloro-3-[(3-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[2,4-dichloro-3-[(3-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide (CID 67736035) is 2-amino-N-[2,4-dichloro-3-[(3-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[2,4-dichloro-3-[(3-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[2,4-dichloro-3-[(3-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide is Cc1cnc2c(OCc3c(Cl)ccc(N(C)C(=O)CN)c3Cl)cccc2c1.
What is the InChIKey of 2-amino-N-[2,4-dichloro-3-[(3-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide?
The InChIKey is SBKIXQDOILLJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2/c1-12-8-13-4-3-5-17(20(13)24-10-12)27-11-14-15(21)6-7-16(19(14)22)25(2)18(26)9-23/h3-8,10H,9,11,23H2,1-2H3.
What are the key properties of 2-amino-N-[2,4-dichloro-3-[(3-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide?
2-amino-N-[2,4-dichloro-3-[(3-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide has a molecular weight of 404.30 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2,4-dichloro-3-[(3-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide is sourced from PubChem (CID 67736035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).