N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclopentylfuran-2-carboxamide

C21H21ClN2O2 — CID 1459732

IUPACN-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclopentylfuran-2-carboxamide
SMILESCc1cccc2cc(CN(C(=O)c3ccco3)C3CCCC3)c(Cl)nc12
InChIInChI=1S/C21H21ClN2O2/c1-14-6-4-7-15-12-16(20(22)23-19(14)15)13-24(17-8-2-3-9-17)21(25)18-10-5-11-26-18/h4-7,10-12,17H,2-3,8-9,13H2,1H3
InChIKeyJLTJOMGCMJIWDL-UHFFFAOYSA-N
MW368.86 g/mol
LogP5.37
Rot. Bonds4

About N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclopentylfuran-2-carboxamide

N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclopentylfuran-2-carboxamide (PubChem CID 1459732) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclopentylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclopentylfuran-2-carboxamide
PubChem CID1459732
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC NameN-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclopentylfuran-2-carboxamide
SMILESCc1cccc2cc(CN(C(=O)c3ccco3)C3CCCC3)c(Cl)nc12
InChIInChI=1S/C21H21ClN2O2/c1-14-6-4-7-15-12-16(20(22)23-19(14)15)13-24(17-8-2-3-9-17)21(25)18-10-5-11-26-18/h4-7,10-12,17H,2-3,8-9,13H2,1H3
InChIKeyJLTJOMGCMJIWDL-UHFFFAOYSA-N
XLogP5.37
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.86
LogP ≤ 55.37
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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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclopentylfuran-2-carboxamide?
The IUPAC name of N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclopentylfuran-2-carboxamide (CID 1459732) is N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclopentylfuran-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclopentylfuran-2-carboxamide?
The canonical SMILES for N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclopentylfuran-2-carboxamide is Cc1cccc2cc(CN(C(=O)c3ccco3)C3CCCC3)c(Cl)nc12.
What is the InChIKey of N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclopentylfuran-2-carboxamide?
The InChIKey is JLTJOMGCMJIWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-14-6-4-7-15-12-16(20(22)23-19(14)15)13-24(17-8-2-3-9-17)21(25)18-10-5-11-26-18/h4-7,10-12,17H,2-3,8-9,13H2,1H3.
What are the key properties of N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclopentylfuran-2-carboxamide?
N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclopentylfuran-2-carboxamide has a molecular weight of 368.86 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclopentylfuran-2-carboxamide is sourced from PubChem (CID 1459732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).