2-(7-chloro-4-oxoquinolin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C19H21ClN2O2 — CID 100737999

IUPAC2-(7-chloro-4-oxoquinolin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(Cn1ccc(=O)c2ccc(Cl)cc21)NCCC1=CCCCC1
InChIInChI=1S/C19H21ClN2O2/c20-15-6-7-16-17(12-15)22(11-9-18(16)23)13-19(24)21-10-8-14-4-2-1-3-5-14/h4,6-7,9,11-12H,1-3,5,8,10,13H2,(H,21,24)
InChIKeyPINHVVWFCWREHC-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.66
Rot. Bonds5

About 2-(7-chloro-4-oxoquinolin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-(7-chloro-4-oxoquinolin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 100737999) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-(7-chloro-4-oxoquinolin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(7-chloro-4-oxoquinolin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID100737999
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(7-chloro-4-oxoquinolin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(Cn1ccc(=O)c2ccc(Cl)cc21)NCCC1=CCCCC1
InChIInChI=1S/C19H21ClN2O2/c20-15-6-7-16-17(12-15)22(11-9-18(16)23)13-19(24)21-10-8-14-4-2-1-3-5-14/h4,6-7,9,11-12H,1-3,5,8,10,13H2,(H,21,24)
InChIKeyPINHVVWFCWREHC-UHFFFAOYSA-N
XLogP3.66
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 46357381
2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 122174912
2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide
CID 100738455
N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide
CID 53164177
2-(6-chlorobenzotriazol-1-yl)oxy-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 7696871
N-[2-(cyclohexen-1-yl)ethyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702965
3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 100588830
2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 108993859
N-(1,3-benzodioxol-5-ylmethyl)-2-(7-chloro-4-oxoquinolin-1-yl)acetamide
CID 100739164
2-(4-chlorophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 958817
N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
CID 53010876
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4-oxoquinolin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-(7-chloro-4-oxoquinolin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 100737999) is 2-(7-chloro-4-oxoquinolin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(7-chloro-4-oxoquinolin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(7-chloro-4-oxoquinolin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is O=C(Cn1ccc(=O)c2ccc(Cl)cc21)NCCC1=CCCCC1.
What is the InChIKey of 2-(7-chloro-4-oxoquinolin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is PINHVVWFCWREHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-15-6-7-16-17(12-15)22(11-9-18(16)23)13-19(24)21-10-8-14-4-2-1-3-5-14/h4,6-7,9,11-12H,1-3,5,8,10,13H2,(H,21,24).
What are the key properties of 2-(7-chloro-4-oxoquinolin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-(7-chloro-4-oxoquinolin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 344.84 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-4-oxoquinolin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 100737999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).