6-tert-butyl-N-prop-2-enylquinoline-3-carboxamide

C17H20N2O — CID 110490180

IUPAC6-tert-butyl-N-prop-2-enylquinoline-3-carboxamide
SMILESC=CCNC(=O)c1cnc2ccc(C(C)(C)C)cc2c1
InChIInChI=1S/C17H20N2O/c1-5-8-18-16(20)13-9-12-10-14(17(2,3)4)6-7-15(12)19-11-13/h5-7,9-11H,1,8H2,2-4H3,(H,18,20)
InChIKeyTUXQYNQHCAYYNE-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.45
Rot. Bonds3

About 6-tert-butyl-N-prop-2-enylquinoline-3-carboxamide

6-tert-butyl-N-prop-2-enylquinoline-3-carboxamide (PubChem CID 110490180) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-tert-butyl-N-prop-2-enylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N-prop-2-enylquinoline-3-carboxamide
PubChem CID110490180
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name6-tert-butyl-N-prop-2-enylquinoline-3-carboxamide
SMILESC=CCNC(=O)c1cnc2ccc(C(C)(C)C)cc2c1
InChIInChI=1S/C17H20N2O/c1-5-8-18-16(20)13-9-12-10-14(17(2,3)4)6-7-15(12)19-11-13/h5-7,9-11H,1,8H2,2-4H3,(H,18,20)
InChIKeyTUXQYNQHCAYYNE-UHFFFAOYSA-N
XLogP3.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-prop-2-enylquinoline-3-carboxamide?
The IUPAC name of 6-tert-butyl-N-prop-2-enylquinoline-3-carboxamide (CID 110490180) is 6-tert-butyl-N-prop-2-enylquinoline-3-carboxamide.
What is the SMILES notation for 6-tert-butyl-N-prop-2-enylquinoline-3-carboxamide?
The canonical SMILES for 6-tert-butyl-N-prop-2-enylquinoline-3-carboxamide is C=CCNC(=O)c1cnc2ccc(C(C)(C)C)cc2c1.
What is the InChIKey of 6-tert-butyl-N-prop-2-enylquinoline-3-carboxamide?
The InChIKey is TUXQYNQHCAYYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-5-8-18-16(20)13-9-12-10-14(17(2,3)4)6-7-15(12)19-11-13/h5-7,9-11H,1,8H2,2-4H3,(H,18,20).
What are the key properties of 6-tert-butyl-N-prop-2-enylquinoline-3-carboxamide?
6-tert-butyl-N-prop-2-enylquinoline-3-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-prop-2-enylquinoline-3-carboxamide is sourced from PubChem (CID 110490180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).