N-[4-[(3-chloro-4-methylquinolin-2-yl)methoxy]phenyl]acetamide

C19H17ClN2O2 — CID 9353803

IUPACN-[4-[(3-chloro-4-methylquinolin-2-yl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2nc3ccccc3c(C)c2Cl)cc1
InChIInChI=1S/C19H17ClN2O2/c1-12-16-5-3-4-6-17(16)22-18(19(12)20)11-24-15-9-7-14(8-10-15)21-13(2)23/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyVDUYMHREFIIICP-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.73
Rot. Bonds4

About N-[4-[(3-chloro-4-methylquinolin-2-yl)methoxy]phenyl]acetamide

N-[4-[(3-chloro-4-methylquinolin-2-yl)methoxy]phenyl]acetamide (PubChem CID 9353803) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is N-[4-[(3-chloro-4-methylquinolin-2-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-4-methylquinolin-2-yl)methoxy]phenyl]acetamide
PubChem CID9353803
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC NameN-[4-[(3-chloro-4-methylquinolin-2-yl)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCc2nc3ccccc3c(C)c2Cl)cc1
InChIInChI=1S/C19H17ClN2O2/c1-12-16-5-3-4-6-17(16)22-18(19(12)20)11-24-15-9-7-14(8-10-15)21-13(2)23/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyVDUYMHREFIIICP-UHFFFAOYSA-N
XLogP4.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-methylquinolin-2-yl)methyl 5-acetamido-2-fluorobenzoate
CID 71887345
N-(4-acetamidophenyl)-2-ethyl-4-methylquinoline-3-carboxamide
CID 9191497
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
N-[4-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 7642527
N-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetamide
CID 7640056
4-[(3-methylquinoxalin-2-yl)methoxy]benzoic acid
CID 4601596
ethyl 2-[[2-(4-acetamidophenyl)acetyl]oxymethyl]-4-methylquinoline-3-carboxylate
CID 8611562
(3-chloro-4-methylquinolin-2-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate
CID 8985221
3-chloro-4-methyl-2-[(2-nitro-3-pyridinyl)oxymethyl]quinoline
CID 8648477
(2S,3S)-2-[(3-chloro-4-methylquinolin-2-yl)methylamino]-3-methylpentanoic acid
CID 122099978
2-(2-methyl-4-oxoquinazolin-3-yl)-N-(4-phenylmethoxyphenyl)propanamide
CID 43022874
ethyl 4-methyl-2-[(4-methylsulfonylphenoxy)methyl]quinoline-3-carboxylate
CID 55590399

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-4-methylquinolin-2-yl)methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[(3-chloro-4-methylquinolin-2-yl)methoxy]phenyl]acetamide (CID 9353803) is N-[4-[(3-chloro-4-methylquinolin-2-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-chloro-4-methylquinolin-2-yl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-chloro-4-methylquinolin-2-yl)methoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCc2nc3ccccc3c(C)c2Cl)cc1.
What is the InChIKey of N-[4-[(3-chloro-4-methylquinolin-2-yl)methoxy]phenyl]acetamide?
The InChIKey is VDUYMHREFIIICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-12-16-5-3-4-6-17(16)22-18(19(12)20)11-24-15-9-7-14(8-10-15)21-13(2)23/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of N-[4-[(3-chloro-4-methylquinolin-2-yl)methoxy]phenyl]acetamide?
N-[4-[(3-chloro-4-methylquinolin-2-yl)methoxy]phenyl]acetamide has a molecular weight of 340.81 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-4-methylquinolin-2-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 9353803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).