N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide

C21H25ClN2O2 — CID 1432182

IUPACN-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESCc1cc2cc(CN(C[C@H]3CCCO3)C(=O)C3CC3)c(Cl)nc2cc1C
InChIInChI=1S/C21H25ClN2O2/c1-13-8-16-10-17(20(22)23-19(16)9-14(13)2)11-24(21(25)15-5-6-15)12-18-4-3-7-26-18/h8-10,15,18H,3-7,11-12H2,1-2H3/t18-/m1/s1
InChIKeyCDHULFMTQDUWST-GOSISDBHSA-N
MW372.90 g/mol
LogP4.42
Rot. Bonds5

About N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide

N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 1432182) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
PubChem CID1432182
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESCc1cc2cc(CN(C[C@H]3CCCO3)C(=O)C3CC3)c(Cl)nc2cc1C
InChIInChI=1S/C21H25ClN2O2/c1-13-8-16-10-17(20(22)23-19(16)9-14(13)2)11-24(21(25)15-5-6-15)12-18-4-3-7-26-18/h8-10,15,18H,3-7,11-12H2,1-2H3/t18-/m1/s1
InChIKeyCDHULFMTQDUWST-GOSISDBHSA-N
XLogP4.42
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide (CID 1432182) is N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide is Cc1cc2cc(CN(C[C@H]3CCCO3)C(=O)C3CC3)c(Cl)nc2cc1C.
What is the InChIKey of N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is CDHULFMTQDUWST-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-13-8-16-10-17(20(22)23-19(16)9-14(13)2)11-24(21(25)15-5-6-15)12-18-4-3-7-26-18/h8-10,15,18H,3-7,11-12H2,1-2H3/t18-/m1/s1.
What are the key properties of N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide?
N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 372.90 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 1432182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).