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

C17H19N3O2 — CID 3088202

IUPAC2-(2-methoxyanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCOc1ccccc1Nc1nc2c(cc1C(N)=O)CCCC2
InChIInChI=1S/C17H19N3O2/c1-22-15-9-5-4-8-14(15)20-17-12(16(18)21)10-11-6-2-3-7-13(11)19-17/h4-5,8-10H,2-3,6-7H2,1H3,(H2,18,21)(H,19,20)
InChIKeyAWRNFTCQQVWBCA-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.81
Rot. Bonds4

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

2-(2-methoxyanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 3088202) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID3088202
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-(2-methoxyanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCOc1ccccc1Nc1nc2c(cc1C(N)=O)CCCC2
InChIInChI=1S/C17H19N3O2/c1-22-15-9-5-4-8-14(15)20-17-12(16(18)21)10-11-6-2-3-7-13(11)19-17/h4-5,8-10H,2-3,6-7H2,1H3,(H2,18,21)(H,19,20)
InChIKeyAWRNFTCQQVWBCA-UHFFFAOYSA-N
XLogP2.81
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 2-(2-methoxyanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 3088202) is 2-(2-methoxyanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 2-(2-methoxyanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide is COc1ccccc1Nc1nc2c(cc1C(N)=O)CCCC2.
What is the InChIKey of 2-(2-methoxyanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is AWRNFTCQQVWBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-22-15-9-5-4-8-14(15)20-17-12(16(18)21)10-11-6-2-3-7-13(11)19-17/h4-5,8-10H,2-3,6-7H2,1H3,(H2,18,21)(H,19,20).
What are the key properties of 2-(2-methoxyanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide?
2-(2-methoxyanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 3088202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).