N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclobutanecarboxamide

C22H23ClN2O2 — CID 3378097

IUPACN-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclobutanecarboxamide
SMILESCc1ccc2cc(CN(Cc3ccco3)C(=O)C3CCC3)c(Cl)nc2c1C
InChIInChI=1S/C22H23ClN2O2/c1-14-8-9-17-11-18(21(23)24-20(17)15(14)2)12-25(13-19-7-4-10-27-19)22(26)16-5-3-6-16/h4,7-11,16H,3,5-6,12-13H2,1-2H3
InChIKeyXHFZPYQEUSAVKY-UHFFFAOYSA-N
MW382.89 g/mol
LogP5.43
Rot. Bonds5

About N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclobutanecarboxamide

N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclobutanecarboxamide (PubChem CID 3378097) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclobutanecarboxamide
PubChem CID3378097
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC NameN-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclobutanecarboxamide
SMILESCc1ccc2cc(CN(Cc3ccco3)C(=O)C3CCC3)c(Cl)nc2c1C
InChIInChI=1S/C22H23ClN2O2/c1-14-8-9-17-11-18(21(23)24-20(17)15(14)2)12-25(13-19-7-4-10-27-19)22(26)16-5-3-6-16/h4,7-11,16H,3,5-6,12-13H2,1-2H3
InChIKeyXHFZPYQEUSAVKY-UHFFFAOYSA-N
XLogP5.43
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.89
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[(2-chloro-8-methylquinolin-3-yl)methyl]cyclopropanecarboxamide
CID 1457686
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 1459926
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
N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 43813583
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide
CID 772636
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-1-cyclopropyl-3-(2-methylphenyl)thiourea
CID 6498869
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)cyclohexanecarboxamide
CID 44949322
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclohexylcyclobutanecarboxamide
CID 3215121
ethyl 1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]piperidin-1-ium-4-carboxylate
CID 8718903

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclobutanecarboxamide?
The IUPAC name of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclobutanecarboxamide (CID 3378097) is N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclobutanecarboxamide.
What is the SMILES notation for N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclobutanecarboxamide?
The canonical SMILES for N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclobutanecarboxamide is Cc1ccc2cc(CN(Cc3ccco3)C(=O)C3CCC3)c(Cl)nc2c1C.
What is the InChIKey of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclobutanecarboxamide?
The InChIKey is XHFZPYQEUSAVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-14-8-9-17-11-18(21(23)24-20(17)15(14)2)12-25(13-19-7-4-10-27-19)22(26)16-5-3-6-16/h4,7-11,16H,3,5-6,12-13H2,1-2H3.
What are the key properties of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclobutanecarboxamide?
N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclobutanecarboxamide has a molecular weight of 382.89 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclobutanecarboxamide is sourced from PubChem (CID 3378097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).