N-(3-chloro-2-methylphenyl)-5-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanamide

C21H21Cl3N2O2 — CID 24877939

IUPACN-(3-chloro-2-methylphenyl)-5-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanamide
SMILESCc1c(Cl)cccc1NC(=O)CCCC(=O)N1CCCc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C21H21Cl3N2O2/c1-13-16(23)6-2-7-18(13)25-19(27)8-3-9-20(28)26-10-4-5-14-11-15(22)12-17(24)21(14)26/h2,6-7,11-12H,3-5,8-10H2,1H3,(H,25,27)
InChIKeyDWVXJTNJKYSBLI-UHFFFAOYSA-N
MW439.77 g/mol
LogP6.04
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-5-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanamide

N-(3-chloro-2-methylphenyl)-5-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanamide (PubChem CID 24877939) has the molecular formula C21H21Cl3N2O2 and a molecular weight of 439.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanamide
PubChem CID24877939
Molecular FormulaC21H21Cl3N2O2
Molecular Weight439.77 g/mol
Exact Mass438.07
IUPAC NameN-(3-chloro-2-methylphenyl)-5-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanamide
SMILESCc1c(Cl)cccc1NC(=O)CCCC(=O)N1CCCc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C21H21Cl3N2O2/c1-13-16(23)6-2-7-18(13)25-19(27)8-3-9-20(28)26-10-4-5-14-11-15(22)12-17(24)21(14)26/h2,6-7,11-12H,3-5,8-10H2,1H3,(H,25,27)
InChIKeyDWVXJTNJKYSBLI-UHFFFAOYSA-N
XLogP6.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.77
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
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N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
6-amino-N-(3-chloro-2-methylphenyl)hexanamide
CID 24711595
6-(3-chloro-2-methylanilino)-6-oxohexanoic acid
CID 43529460
3-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)propanamide;oxalic acid
CID 171154314
N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944418
7-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]heptanamide
CID 119762063
N-(3-chloro-2-methylphenyl)-2-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]acetamide
CID 43065952
N-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)propanamide
CID 110687915
N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 22199009
N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide
CID 1407392

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanamide (CID 24877939) is N-(3-chloro-2-methylphenyl)-5-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanamide is Cc1c(Cl)cccc1NC(=O)CCCC(=O)N1CCCc2cc(Cl)cc(Cl)c21.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanamide?
The InChIKey is DWVXJTNJKYSBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl3N2O2/c1-13-16(23)6-2-7-18(13)25-19(27)8-3-9-20(28)26-10-4-5-14-11-15(22)12-17(24)21(14)26/h2,6-7,11-12H,3-5,8-10H2,1H3,(H,25,27).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanamide?
N-(3-chloro-2-methylphenyl)-5-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanamide has a molecular weight of 439.77 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-(6,8-dichloro-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanamide is sourced from PubChem (CID 24877939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).