5-amino-N-(furan-2-ylmethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide

C18H19N3O3 — CID 82212516

IUPAC5-amino-N-(furan-2-ylmethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide
SMILESCC(C)n1cc(C(=O)NCc2ccco2)c(=O)c2c(N)cccc21
InChIInChI=1S/C18H19N3O3/c1-11(2)21-10-13(18(23)20-9-12-5-4-8-24-12)17(22)16-14(19)6-3-7-15(16)21/h3-8,10-11H,9,19H2,1-2H3,(H,20,23)
InChIKeySHDHFYYTJCSRDA-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.69
Rot. Bonds4

About 5-amino-N-(furan-2-ylmethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide

5-amino-N-(furan-2-ylmethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide (PubChem CID 82212516) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-amino-N-(furan-2-ylmethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(furan-2-ylmethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide
PubChem CID82212516
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name5-amino-N-(furan-2-ylmethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide
SMILESCC(C)n1cc(C(=O)NCc2ccco2)c(=O)c2c(N)cccc21
InChIInChI=1S/C18H19N3O3/c1-11(2)21-10-13(18(23)20-9-12-5-4-8-24-12)17(22)16-14(19)6-3-7-15(16)21/h3-8,10-11H,9,19H2,1-2H3,(H,20,23)
InChIKeySHDHFYYTJCSRDA-UHFFFAOYSA-N
XLogP2.69
TPSA90.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide
CID 82212557
5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide
CID 82212481
1-butan-2-yl-3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(2-methylprop-2-enyl)-4-oxopyridine-3,5-dicarboxamide
CID 45243150
2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide
CID 16782827
5-amino-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 61290383
N-(furan-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 845080
(2S)-2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 1091523
5-amino-N-ethyl-1-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide
CID 82212450
2-amino-N-(furan-2-ylmethyl)-5-hydroxybenzamide
CID 107073676
N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
1-butan-2-yl-3-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-N-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide
CID 45242955

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(furan-2-ylmethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
The IUPAC name of 5-amino-N-(furan-2-ylmethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide (CID 82212516) is 5-amino-N-(furan-2-ylmethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide.
What is the SMILES notation for 5-amino-N-(furan-2-ylmethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
The canonical SMILES for 5-amino-N-(furan-2-ylmethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide is CC(C)n1cc(C(=O)NCc2ccco2)c(=O)c2c(N)cccc21.
What is the InChIKey of 5-amino-N-(furan-2-ylmethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
The InChIKey is SHDHFYYTJCSRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11(2)21-10-13(18(23)20-9-12-5-4-8-24-12)17(22)16-14(19)6-3-7-15(16)21/h3-8,10-11H,9,19H2,1-2H3,(H,20,23).
What are the key properties of 5-amino-N-(furan-2-ylmethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
5-amino-N-(furan-2-ylmethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(furan-2-ylmethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 82212516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).