2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-oxoazepan-3-yl)acetamide

C17H22ClN3O2 — CID 60509494

IUPAC2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-oxoazepan-3-yl)acetamide
SMILESO=C(CN1CCCc2cc(Cl)ccc21)NC1CCCCNC1=O
InChIInChI=1S/C17H22ClN3O2/c18-13-6-7-15-12(10-13)4-3-9-21(15)11-16(22)20-14-5-1-2-8-19-17(14)23/h6-7,10,14H,1-5,8-9,11H2,(H,19,23)(H,20,22)
InChIKeyTXQDRKKRZNZTBL-UHFFFAOYSA-N
MW335.84 g/mol
LogP1.88
Rot. Bonds3

About 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-oxoazepan-3-yl)acetamide

2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-oxoazepan-3-yl)acetamide (PubChem CID 60509494) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-oxoazepan-3-yl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-oxoazepan-3-yl)acetamide
PubChem CID60509494
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-oxoazepan-3-yl)acetamide
SMILESO=C(CN1CCCc2cc(Cl)ccc21)NC1CCCCNC1=O
InChIInChI=1S/C17H22ClN3O2/c18-13-6-7-15-12(10-13)4-3-9-21(15)11-16(22)20-14-5-1-2-8-19-17(14)23/h6-7,10,14H,1-5,8-9,11H2,(H,19,23)(H,20,22)
InChIKeyTXQDRKKRZNZTBL-UHFFFAOYSA-N
XLogP1.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-oxoazepan-3-yl)acetamide?
The IUPAC name of 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-oxoazepan-3-yl)acetamide (CID 60509494) is 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-oxoazepan-3-yl)acetamide.
What is the SMILES notation for 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-oxoazepan-3-yl)acetamide?
The canonical SMILES for 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-oxoazepan-3-yl)acetamide is O=C(CN1CCCc2cc(Cl)ccc21)NC1CCCCNC1=O.
What is the InChIKey of 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-oxoazepan-3-yl)acetamide?
The InChIKey is TXQDRKKRZNZTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c18-13-6-7-15-12(10-13)4-3-9-21(15)11-16(22)20-14-5-1-2-8-19-17(14)23/h6-7,10,14H,1-5,8-9,11H2,(H,19,23)(H,20,22).
What are the key properties of 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-oxoazepan-3-yl)acetamide?
2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-oxoazepan-3-yl)acetamide has a molecular weight of 335.84 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-oxoazepan-3-yl)acetamide is sourced from PubChem (CID 60509494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).