2-(2-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide

C17H19N3O — CID 3088199

IUPAC2-(2-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCc1ccccc1Nc1nc2c(cc1C(N)=O)CCCC2
InChIInChI=1S/C17H19N3O/c1-11-6-2-4-8-14(11)19-17-13(16(18)21)10-12-7-3-5-9-15(12)20-17/h2,4,6,8,10H,3,5,7,9H2,1H3,(H2,18,21)(H,19,20)
InChIKeyMBOACEBEOXFQMO-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.11
Rot. Bonds3

About 2-(2-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide

2-(2-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 3088199) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(2-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name2-(2-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID3088199
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(2-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCc1ccccc1Nc1nc2c(cc1C(N)=O)CCCC2
InChIInChI=1S/C17H19N3O/c1-11-6-2-4-8-14(11)19-17-13(16(18)21)10-12-7-3-5-9-15(12)20-17/h2,4,6,8,10H,3,5,7,9H2,1H3,(H2,18,21)(H,19,20)
InChIKeyMBOACEBEOXFQMO-UHFFFAOYSA-N
XLogP3.11
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 2-(2-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 3088199) is 2-(2-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 2-(2-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 2-(2-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide is Cc1ccccc1Nc1nc2c(cc1C(N)=O)CCCC2.
What is the InChIKey of 2-(2-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is MBOACEBEOXFQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-6-2-4-8-14(11)19-17-13(16(18)21)10-12-7-3-5-9-15(12)20-17/h2,4,6,8,10H,3,5,7,9H2,1H3,(H2,18,21)(H,19,20).
What are the key properties of 2-(2-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
2-(2-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 3088199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).