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

C21H21Cl2N3O2 — CID 19603427

IUPAC3-amino-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylpropanamide
SMILESCc1ccc2cccc(OCc3c(Cl)ccc(N(C)C(=O)CCN)c3Cl)c2n1
InChIInChI=1S/C21H21Cl2N3O2/c1-13-6-7-14-4-3-5-18(21(14)25-13)28-12-15-16(22)8-9-17(20(15)23)26(2)19(27)10-11-24/h3-9H,10-12,24H2,1-2H3
InChIKeyMYXKGFLNLYDIRH-UHFFFAOYSA-N
MW418.32 g/mol
LogP4.74
Rot. Bonds6

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

3-amino-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylpropanamide (PubChem CID 19603427) has the molecular formula C21H21Cl2N3O2 and a molecular weight of 418.32 g/mol. Its IUPAC name is 3-amino-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylpropanamide
PubChem CID19603427
Molecular FormulaC21H21Cl2N3O2
Molecular Weight418.32 g/mol
Exact Mass417.10
IUPAC Name3-amino-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylpropanamide
SMILESCc1ccc2cccc(OCc3c(Cl)ccc(N(C)C(=O)CCN)c3Cl)c2n1
InChIInChI=1S/C21H21Cl2N3O2/c1-13-6-7-14-4-3-5-18(21(14)25-13)28-12-15-16(22)8-9-17(20(15)23)26(2)19(27)10-11-24/h3-9H,10-12,24H2,1-2H3
InChIKeyMYXKGFLNLYDIRH-UHFFFAOYSA-N
XLogP4.74
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromoacetyl)amino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 19603254
2-amino-N-[4-chloro-2-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 54560515
2-[[[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-methylcarbamoyl]amino]acetic acid
CID 19603415
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-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methyl-2-(pyridin-2-ylcarbamoylamino)acetamide
CID 22113049
N-[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]-3-phenylprop-2-enamide;hydrochloride
CID 70180688
2-[(4-acetylphenyl)carbamoylamino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 22112943
2-amino-N-[2,4-dichloro-3-[(3-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 67736035
(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
2-[(3-acetylphenyl)carbamoylamino]-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylacetamide
CID 22113194
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-3-ylcarbamoylamino)acetamide;dihydrochloride
CID 22112918

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylpropanamide?
The IUPAC name of 3-amino-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylpropanamide (CID 19603427) is 3-amino-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for 3-amino-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylpropanamide?
The canonical SMILES for 3-amino-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylpropanamide is Cc1ccc2cccc(OCc3c(Cl)ccc(N(C)C(=O)CCN)c3Cl)c2n1.
What is the InChIKey of 3-amino-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylpropanamide?
The InChIKey is MYXKGFLNLYDIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O2/c1-13-6-7-14-4-3-5-18(21(14)25-13)28-12-15-16(22)8-9-17(20(15)23)26(2)19(27)10-11-24/h3-9H,10-12,24H2,1-2H3.
What are the key properties of 3-amino-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylpropanamide?
3-amino-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylpropanamide has a molecular weight of 418.32 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 19603427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).