N-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide

C19H20N2O3 — CID 3153146

IUPACN-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
SMILESCC(C)(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccco1
InChIInChI=1S/C19H20N2O3/c1-19(2,3)21(18(23)16-9-6-10-24-16)12-14-11-13-7-4-5-8-15(13)20-17(14)22/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyPOJJAFJYLNMWOH-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.56
Rot. Bonds3

About N-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide

N-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide (PubChem CID 3153146) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
PubChem CID3153146
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
SMILESCC(C)(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccco1
InChIInChI=1S/C19H20N2O3/c1-19(2,3)21(18(23)16-9-6-10-24-16)12-14-11-13-7-4-5-8-15(13)20-17(14)22/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyPOJJAFJYLNMWOH-UHFFFAOYSA-N
XLogP3.56
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide (CID 3153146) is N-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide is CC(C)(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccco1.
What is the InChIKey of N-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?
The InChIKey is POJJAFJYLNMWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-19(2,3)21(18(23)16-9-6-10-24-16)12-14-11-13-7-4-5-8-15(13)20-17(14)22/h4-11H,12H2,1-3H3,(H,20,22).
What are the key properties of N-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?
N-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 3153146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).