2-chloro-N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide

C23H16Cl2N2O4 — CID 1460043

IUPAC2-chloro-N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(c1ccccc1Cl)N(Cc1ccco1)Cc1cc2cc3c(cc2nc1Cl)OCO3
InChIInChI=1S/C23H16Cl2N2O4/c24-18-6-2-1-5-17(18)23(28)27(12-16-4-3-7-29-16)11-15-8-14-9-20-21(31-13-30-20)10-19(14)26-22(15)25/h1-10H,11-13H2
InChIKeyPJQCSWCYQBOJFL-UHFFFAOYSA-N
MW455.30 g/mol
LogP5.71
Rot. Bonds5

About 2-chloro-N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide

2-chloro-N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 1460043) has the molecular formula C23H16Cl2N2O4 and a molecular weight of 455.30 g/mol. Its IUPAC name is 2-chloro-N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID1460043
Molecular FormulaC23H16Cl2N2O4
Molecular Weight455.30 g/mol
Exact Mass454.05
IUPAC Name2-chloro-N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(c1ccccc1Cl)N(Cc1ccco1)Cc1cc2cc3c(cc2nc1Cl)OCO3
InChIInChI=1S/C23H16Cl2N2O4/c24-18-6-2-1-5-17(18)23(28)27(12-16-4-3-7-29-16)11-15-8-14-9-20-21(31-13-30-20)10-19(14)26-22(15)25/h1-10H,11-13H2
InChIKeyPJQCSWCYQBOJFL-UHFFFAOYSA-N
XLogP5.71
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.30
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 17012308
2-chloro-N-(furan-2-ylmethyl)-N-[2-oxo-2-(N-phenylanilino)ethyl]benzamide
CID 1124595
N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide
CID 42776726
2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide
CID 106686174
N-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 1433064
N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 1460041
N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 43813641
N-[[2-(dimethylamino)-7-methylsulfanylquinolin-3-yl]methyl]-N-(furan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 26341794
N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 3216993
3-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 66483339
2-(3,4-dichlorophenyl)-N,N-bis(furan-2-ylmethyl)acetamide
CID 112767070
2,4-dichloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 55523141

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide (CID 1460043) is 2-chloro-N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide is O=C(c1ccccc1Cl)N(Cc1ccco1)Cc1cc2cc3c(cc2nc1Cl)OCO3.
What is the InChIKey of 2-chloro-N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is PJQCSWCYQBOJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N2O4/c24-18-6-2-1-5-17(18)23(28)27(12-16-4-3-7-29-16)11-15-8-14-9-20-21(31-13-30-20)10-19(14)26-22(15)25/h1-10H,11-13H2.
What are the key properties of 2-chloro-N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide?
2-chloro-N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 455.30 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 1460043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).