N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)furan-2-carboxamide

C22H23ClN2O4 — CID 3219509

IUPACN-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)furan-2-carboxamide
SMILESCc1cc(C)c2nc(Cl)c(CN(CC3COCCO3)C(=O)c3ccco3)cc2c1
InChIInChI=1S/C22H23ClN2O4/c1-14-8-15(2)20-16(9-14)10-17(21(23)24-20)11-25(12-18-13-27-6-7-28-18)22(26)19-4-3-5-29-19/h3-5,8-10,18H,6-7,11-13H2,1-2H3
InChIKeyIYIIXQBKWQVGOI-UHFFFAOYSA-N
MW414.89 g/mol
LogP4.16
Rot. Bonds5

About N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)furan-2-carboxamide

N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)furan-2-carboxamide (PubChem CID 3219509) has the molecular formula C22H23ClN2O4 and a molecular weight of 414.89 g/mol. Its IUPAC name is N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)furan-2-carboxamide
PubChem CID3219509
Molecular FormulaC22H23ClN2O4
Molecular Weight414.89 g/mol
Exact Mass414.13
IUPAC NameN-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)furan-2-carboxamide
SMILESCc1cc(C)c2nc(Cl)c(CN(CC3COCCO3)C(=O)c3ccco3)cc2c1
InChIInChI=1S/C22H23ClN2O4/c1-14-8-15(2)20-16(9-14)10-17(21(23)24-20)11-25(12-18-13-27-6-7-28-18)22(26)19-4-3-5-29-19/h3-5,8-10,18H,6-7,11-13H2,1-2H3
InChIKeyIYIIXQBKWQVGOI-UHFFFAOYSA-N
XLogP4.16
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 54.16
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

N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 3216916
N-benzyl-N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclopropanecarboxamide
CID 3215107
N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclopentylfuran-2-carboxamide
CID 1459732
1-benzyl-1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-3,3-dimethylurea
CID 23913689
N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 3216949
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 1459845
N-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 1466402
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 1459926
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 1458849
N-[(9-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 3216740
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclohexylbenzamide
CID 3215123
N-(1,4-dioxan-2-ylmethyl)-4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3214370

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)furan-2-carboxamide (CID 3219509) is N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)furan-2-carboxamide is Cc1cc(C)c2nc(Cl)c(CN(CC3COCCO3)C(=O)c3ccco3)cc2c1.
What is the InChIKey of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)furan-2-carboxamide?
The InChIKey is IYIIXQBKWQVGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O4/c1-14-8-15(2)20-16(9-14)10-17(21(23)24-20)11-25(12-18-13-27-6-7-28-18)22(26)19-4-3-5-29-19/h3-5,8-10,18H,6-7,11-13H2,1-2H3.
What are the key properties of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)furan-2-carboxamide?
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)furan-2-carboxamide has a molecular weight of 414.89 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(1,4-dioxan-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 3219509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).