2-methyl-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide

C17H22N2O2 — CID 2439323

IUPAC2-methyl-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCCOC(C)C)c2ccccc2n1
InChIInChI=1S/C17H22N2O2/c1-12(2)21-10-6-9-18-17(20)15-11-13(3)19-16-8-5-4-7-14(15)16/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,18,20)
InChIKeyUNBXGFIWJOOTMU-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.09
Rot. Bonds6

About 2-methyl-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide

2-methyl-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide (PubChem CID 2439323) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-methyl-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide
PubChem CID2439323
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-methyl-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCCOC(C)C)c2ccccc2n1
InChIInChI=1S/C17H22N2O2/c1-12(2)21-10-6-9-18-17(20)15-11-13(3)19-16-8-5-4-7-14(15)16/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,18,20)
InChIKeyUNBXGFIWJOOTMU-UHFFFAOYSA-N
XLogP3.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide (CID 2439323) is 2-methyl-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide is Cc1cc(C(=O)NCCCOC(C)C)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide?
The InChIKey is UNBXGFIWJOOTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(2)21-10-6-9-18-17(20)15-11-13(3)19-16-8-5-4-7-14(15)16/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,18,20).
What are the key properties of 2-methyl-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide?
2-methyl-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide is sourced from PubChem (CID 2439323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).