N-(3,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide

C18H20N2O — CID 24818459

IUPACN-(3,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCc3ccccc32)cc1C
InChIInChI=1S/C18H20N2O/c1-13-9-10-16(12-14(13)2)19-18(21)20-11-5-7-15-6-3-4-8-17(15)20/h3-4,6,8-10,12H,5,7,11H2,1-2H3,(H,19,21)
InChIKeyFDCKLUJNIZJPFT-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.29
Rot. Bonds1

About N-(3,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide

N-(3,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 24818459) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID24818459
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-(3,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCc3ccccc32)cc1C
InChIInChI=1S/C18H20N2O/c1-13-9-10-16(12-14(13)2)19-18(21)20-11-5-7-15-6-3-4-8-17(15)20/h3-4,6,8-10,12H,5,7,11H2,1-2H3,(H,19,21)
InChIKeyFDCKLUJNIZJPFT-UHFFFAOYSA-N
XLogP4.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide (CID 24818459) is N-(3,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide is Cc1ccc(NC(=O)N2CCCc3ccccc32)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is FDCKLUJNIZJPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-9-10-16(12-14(13)2)19-18(21)20-11-5-7-15-6-3-4-8-17(15)20/h3-4,6,8-10,12H,5,7,11H2,1-2H3,(H,19,21).
What are the key properties of N-(3,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
N-(3,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 24818459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).