N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide

C17H18N2O2 — CID 24697401

IUPACN-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCc3ccccc3N2)cc1
InChIInChI=1S/C17H18N2O2/c1-21-14-9-7-13(8-10-14)18-17(20)16-11-6-12-4-2-3-5-15(12)19-16/h2-5,7-10,16,19H,6,11H2,1H3,(H,18,20)
InChIKeyDFJZKGDEBNSPJD-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.06
Rot. Bonds3

About N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide

N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide (PubChem CID 24697401) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
PubChem CID24697401
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCc3ccccc3N2)cc1
InChIInChI=1S/C17H18N2O2/c1-21-14-9-7-13(8-10-14)18-17(20)16-11-6-12-4-2-3-5-15(12)19-16/h2-5,7-10,16,19H,6,11H2,1H3,(H,18,20)
InChIKeyDFJZKGDEBNSPJD-UHFFFAOYSA-N
XLogP3.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide (CID 24697401) is N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide is COc1ccc(NC(=O)C2CCc3ccccc3N2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The InChIKey is DFJZKGDEBNSPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-14-9-7-13(8-10-14)18-17(20)16-11-6-12-4-2-3-5-15(12)19-16/h2-5,7-10,16,19H,6,11H2,1H3,(H,18,20).
What are the key properties of N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide is sourced from PubChem (CID 24697401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).