N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-methyltriazole-4-carboxamide

C20H19N5O2 — CID 71806504

IUPACN-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)nn1
InChIInChI=1S/C20H19N5O2/c1-24-13-17(22-23-24)19(26)21-16-10-9-14-8-5-11-25(18(14)12-16)20(27)15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H,21,26)
InChIKeyLRZMCMDGNYDGEA-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.66
Rot. Bonds3

About N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-methyltriazole-4-carboxamide

N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-methyltriazole-4-carboxamide (PubChem CID 71806504) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-methyltriazole-4-carboxamide
PubChem CID71806504
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)nn1
InChIInChI=1S/C20H19N5O2/c1-24-13-17(22-23-24)19(26)21-16-10-9-14-8-5-11-25(18(14)12-16)20(27)15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H,21,26)
InChIKeyLRZMCMDGNYDGEA-UHFFFAOYSA-N
XLogP2.66
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(cyclopentanecarbonyl)-2,3-dihydroindol-6-yl]-1-methyltriazole-4-carboxamide
CID 71806589
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(4-chlorophenyl)urea
CID 30372487
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-carboxamide
CID 27557595
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-nitrobenzamide
CID 16835048
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(3-methoxyphenyl)urea
CID 30372497
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-phenylurea
CID 46384404
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-5-chloro-2-nitrobenzamide
CID 16835054
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517408
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-methylphenyl)acetamide
CID 27537491
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(2-methoxyphenyl)urea
CID 30372555
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)oxolane-2-carboxamide
CID 16835050
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-fluorobenzamide
CID 27557625

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-methyltriazole-4-carboxamide?
The IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-methyltriazole-4-carboxamide (CID 71806504) is N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-methyltriazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)nn1.
What is the InChIKey of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-methyltriazole-4-carboxamide?
The InChIKey is LRZMCMDGNYDGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-24-13-17(22-23-24)19(26)21-16-10-9-14-8-5-11-25(18(14)12-16)20(27)15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13H,5,8,11H2,1H3,(H,21,26).
What are the key properties of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-methyltriazole-4-carboxamide?
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-methyltriazole-4-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 71806504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).