5-bromo-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide

C19H21BrN2O3 — CID 16927240

IUPAC5-bromo-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide
SMILESCC(C)CCN1C(=O)CCc2cc(NC(=O)c3ccc(Br)o3)ccc21
InChIInChI=1S/C19H21BrN2O3/c1-12(2)9-10-22-15-5-4-14(11-13(15)3-8-18(22)23)21-19(24)16-6-7-17(20)25-16/h4-7,11-12H,3,8-10H2,1-2H3,(H,21,24)
InChIKeyKDIDWKKRINWGNB-UHFFFAOYSA-N
MW405.29 g/mol
LogP4.62
Rot. Bonds5

About 5-bromo-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide

5-bromo-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide (PubChem CID 16927240) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 5-bromo-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide
PubChem CID16927240
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name5-bromo-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide
SMILESCC(C)CCN1C(=O)CCc2cc(NC(=O)c3ccc(Br)o3)ccc21
InChIInChI=1S/C19H21BrN2O3/c1-12(2)9-10-22-15-5-4-14(11-13(15)3-8-18(22)23)21-19(24)16-6-7-17(20)25-16/h4-7,11-12H,3,8-10H2,1-2H3,(H,21,24)
InChIKeyKDIDWKKRINWGNB-UHFFFAOYSA-N
XLogP4.62
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide (CID 16927240) is 5-bromo-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide is CC(C)CCN1C(=O)CCc2cc(NC(=O)c3ccc(Br)o3)ccc21.
What is the InChIKey of 5-bromo-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide?
The InChIKey is KDIDWKKRINWGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-12(2)9-10-22-15-5-4-14(11-13(15)3-8-18(22)23)21-19(24)16-6-7-17(20)25-16/h4-7,11-12H,3,8-10H2,1-2H3,(H,21,24).
What are the key properties of 5-bromo-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide?
5-bromo-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide has a molecular weight of 405.29 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide is sourced from PubChem (CID 16927240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).