1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide

C21H17ClN2O4 — CID 651071

IUPAC1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESO=C1CCCc2c1cc(C(=O)NCc1ccco1)c(=O)n2-c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN2O4/c22-13-6-8-14(9-7-13)24-18-4-1-5-19(25)16(18)11-17(21(24)27)20(26)23-12-15-3-2-10-28-15/h2-3,6-11H,1,4-5,12H2,(H,23,26)
InChIKeyZBCSKJPPKKQVPD-UHFFFAOYSA-N
MW396.83 g/mol
LogP3.53
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide

1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide (PubChem CID 651071) has the molecular formula C21H17ClN2O4 and a molecular weight of 396.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
PubChem CID651071
Molecular FormulaC21H17ClN2O4
Molecular Weight396.83 g/mol
Exact Mass396.09
IUPAC Name1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESO=C1CCCc2c1cc(C(=O)NCc1ccco1)c(=O)n2-c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN2O4/c22-13-6-8-14(9-7-13)24-18-4-1-5-19(25)16(18)11-17(21(24)27)20(26)23-12-15-3-2-10-28-15/h2-3,6-11H,1,4-5,12H2,(H,23,26)
InChIKeyZBCSKJPPKKQVPD-UHFFFAOYSA-N
XLogP3.53
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide (CID 651071) is 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide is O=C1CCCc2c1cc(C(=O)NCc1ccco1)c(=O)n2-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The InChIKey is ZBCSKJPPKKQVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O4/c22-13-6-8-14(9-7-13)24-18-4-1-5-19(25)16(18)11-17(21(24)27)20(26)23-12-15-3-2-10-28-15/h2-3,6-11H,1,4-5,12H2,(H,23,26).
What are the key properties of 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide has a molecular weight of 396.83 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide is sourced from PubChem (CID 651071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).