3,4-dichloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide

C20H20Cl2N2O2 — CID 7498736

IUPAC3,4-dichloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
SMILESCC(C)C(=O)N1CCCc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc21
InChIInChI=1S/C20H20Cl2N2O2/c1-12(2)20(26)24-9-3-4-13-10-15(6-8-18(13)24)23-19(25)14-5-7-16(21)17(22)11-14/h5-8,10-12H,3-4,9H2,1-2H3,(H,23,25)
InChIKeyZAQUZKDQLZHUSV-UHFFFAOYSA-N
MW391.30 g/mol
LogP5.18
Rot. Bonds3

About 3,4-dichloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide

3,4-dichloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide (PubChem CID 7498736) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
PubChem CID7498736
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC Name3,4-dichloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
SMILESCC(C)C(=O)N1CCCc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc21
InChIInChI=1S/C20H20Cl2N2O2/c1-12(2)20(26)24-9-3-4-13-10-15(6-8-18(13)24)23-19(25)14-5-7-16(21)17(22)11-14/h5-8,10-12H,3-4,9H2,1-2H3,(H,23,25)
InChIKeyZAQUZKDQLZHUSV-UHFFFAOYSA-N
XLogP5.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.30
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7656757
3,4-difluoro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517474
3-bromo-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzamide
CID 110358428
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclopentanecarboxamide
CID 7656708
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclohexanecarboxamide
CID 18584143
2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7656750
4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27604865
1-(4-methoxyphenyl)-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea
CID 30373580
1-[6-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropan-1-one
CID 28803858
2-(2,4-dichlorophenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7498754
phenyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate
CID 7656784
1-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide
CID 7635663

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide (CID 7498736) is 3,4-dichloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide is CC(C)C(=O)N1CCCc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc21.
What is the InChIKey of 3,4-dichloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The InChIKey is ZAQUZKDQLZHUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c1-12(2)20(26)24-9-3-4-13-10-15(6-8-18(13)24)23-19(25)14-5-7-16(21)17(22)11-14/h5-8,10-12H,3-4,9H2,1-2H3,(H,23,25).
What are the key properties of 3,4-dichloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
3,4-dichloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide has a molecular weight of 391.30 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide is sourced from PubChem (CID 7498736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).