1-(2,4-dimethylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxamide

C19H20N2O2 — CID 86982066

IUPAC1-(2,4-dimethylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESCc1ccc(C(=O)N2CCCc3c(C(N)=O)cccc32)c(C)c1
InChIInChI=1S/C19H20N2O2/c1-12-8-9-14(13(2)11-12)19(23)21-10-4-6-15-16(18(20)22)5-3-7-17(15)21/h3,5,7-9,11H,4,6,10H2,1-2H3,(H2,20,22)
InChIKeyJMRAOYNKAMCTDN-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.00
Rot. Bonds2

About 1-(2,4-dimethylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxamide

1-(2,4-dimethylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxamide (PubChem CID 86982066) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(2,4-dimethylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxamide
PubChem CID86982066
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-(2,4-dimethylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESCc1ccc(C(=O)N2CCCc3c(C(N)=O)cccc32)c(C)c1
InChIInChI=1S/C19H20N2O2/c1-12-8-9-14(13(2)11-12)19(23)21-10-4-6-15-16(18(20)22)5-3-7-17(15)21/h3,5,7-9,11H,4,6,10H2,1-2H3,(H2,20,22)
InChIKeyJMRAOYNKAMCTDN-UHFFFAOYSA-N
XLogP3.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxamide?
The IUPAC name of 1-(2,4-dimethylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxamide (CID 86982066) is 1-(2,4-dimethylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxamide?
The canonical SMILES for 1-(2,4-dimethylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxamide is Cc1ccc(C(=O)N2CCCc3c(C(N)=O)cccc32)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxamide?
The InChIKey is JMRAOYNKAMCTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12-8-9-14(13(2)11-12)19(23)21-10-4-6-15-16(18(20)22)5-3-7-17(15)21/h3,5,7-9,11H,4,6,10H2,1-2H3,(H2,20,22).
What are the key properties of 1-(2,4-dimethylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxamide?
1-(2,4-dimethylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxamide is sourced from PubChem (CID 86982066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).