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

C21H21ClN2O3 — CID 7498527

IUPAC2-(4-chlorophenoxy)-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)CCCN2C(=O)C1CC1
InChIInChI=1S/C21H21ClN2O3/c22-16-5-8-18(9-6-16)27-13-20(25)23-17-7-10-19-15(12-17)2-1-11-24(19)21(26)14-3-4-14/h5-10,12,14H,1-4,11,13H2,(H,23,25)
InChIKeyFXOLRZWTRNLOEL-UHFFFAOYSA-N
MW384.86 g/mol
LogP4.05
Rot. Bonds5

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

2-(4-chlorophenoxy)-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide (PubChem CID 7498527) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
PubChem CID7498527
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name2-(4-chlorophenoxy)-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)CCCN2C(=O)C1CC1
InChIInChI=1S/C21H21ClN2O3/c22-16-5-8-18(9-6-16)27-13-20(25)23-17-7-10-19-15(12-17)2-1-11-24(19)21(26)14-3-4-14/h5-10,12,14H,1-4,11,13H2,(H,23,25)
InChIKeyFXOLRZWTRNLOEL-UHFFFAOYSA-N
XLogP4.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide (CID 7498527) is 2-(4-chlorophenoxy)-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)CCCN2C(=O)C1CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The InChIKey is FXOLRZWTRNLOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c22-16-5-8-18(9-6-16)27-13-20(25)23-17-7-10-19-15(12-17)2-1-11-24(19)21(26)14-3-4-14/h5-10,12,14H,1-4,11,13H2,(H,23,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide?
2-(4-chlorophenoxy)-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide has a molecular weight of 384.86 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide is sourced from PubChem (CID 7498527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).