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

C21H25ClN2O2 — CID 3227723

IUPACN-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide
SMILESCc1cc2cc(CN(CC3CCCO3)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
InChIKeyCDHULFMTQDUWST-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.42
Rot. Bonds5

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

N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide (PubChem CID 3227723) 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-(oxolan-2-ylmethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide
PubChem CID3227723
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide
SMILESCc1cc2cc(CN(CC3CCCO3)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
InChIKeyCDHULFMTQDUWST-UHFFFAOYSA-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'}

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Related Compounds

N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)morpholine-4-carboxamide
CID 3216944
N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide
CID 3216943
Ethyl trans-3-(2-chloro-6,7-dimethylquinolin-3-yl)-1-cyclohexylaziridine-2-carboxylate
CID 139071779
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentyl-2-methoxyacetamide
CID 856832
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide
CID 3216868
N-[(2-chloro-6-ethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide
CID 3216888
N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
CID 3216900
N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide
CID 3216908
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide
CID 3216928
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
CID 3216932
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)propanamide
CID 3216935
N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)propanamide
CID 3216950

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide?
The IUPAC name of N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide (CID 3227723) is N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide?
The canonical SMILES for N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide is Cc1cc2cc(CN(CC3CCCO3)C(=O)C3CC3)c(Cl)nc2cc1C.
What is the InChIKey of N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide?
The InChIKey is CDHULFMTQDUWST-UHFFFAOYSA-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.
What are the key properties of N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide?
N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)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-(oxolan-2-ylmethyl)cyclopropanecarboxamide is sourced from PubChem (CID 3227723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).