2-(3-methylphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide

C22H26N2O3 — CID 7498760

IUPAC2-(3-methylphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)c1
InChIInChI=1S/C22H26N2O3/c1-15(2)22(26)24-11-5-7-17-13-18(9-10-20(17)24)23-21(25)14-27-19-8-4-6-16(3)12-19/h4,6,8-10,12-13,15H,5,7,11,14H2,1-3H3,(H,23,25)
InChIKeyDFUQVMVILJKNRV-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.95
Rot. Bonds5

About 2-(3-methylphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide

2-(3-methylphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide (PubChem CID 7498760) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
PubChem CID7498760
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-(3-methylphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)c1
InChIInChI=1S/C22H26N2O3/c1-15(2)22(26)24-11-5-7-17-13-18(9-10-20(17)24)23-21(25)14-27-19-8-4-6-16(3)12-19/h4,6,8-10,12-13,15H,5,7,11,14H2,1-3H3,(H,23,25)
InChIKeyDFUQVMVILJKNRV-UHFFFAOYSA-N
XLogP3.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7498766
2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7656750
2-(2,4-dichlorophenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7498754
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylphenoxy)acetamide
CID 7656394
phenyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate
CID 7656784
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(3-methylphenoxy)acetamide
CID 7517353
2-(3-methylphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
CID 7517427
N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-4-phenoxybutanamide
CID 110358439
2-(2-methoxyphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
CID 7517535
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
methyl 7-[[2-(3-methylphenoxy)acetyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034795
2-(3,4-dimethoxyphenyl)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7498752

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide (CID 7498760) is 2-(3-methylphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide is Cc1cccc(OCC(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The InChIKey is DFUQVMVILJKNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15(2)22(26)24-11-5-7-17-13-18(9-10-20(17)24)23-21(25)14-27-19-8-4-6-16(3)12-19/h4,6,8-10,12-13,15H,5,7,11,14H2,1-3H3,(H,23,25).
What are the key properties of 2-(3-methylphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide?
2-(3-methylphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide has a molecular weight of 366.46 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide is sourced from PubChem (CID 7498760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).