7b-butyl-6-chloro-N-ethyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide

C17H21ClN2O2 — CID 15959198

IUPAC7b-butyl-6-chloro-N-ethyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide
SMILESCCCCC12CC1(C(=O)NCC)C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C17H21ClN2O2/c1-3-5-8-16-10-17(16,14(21)19-4-2)15(22)20-13-7-6-11(18)9-12(13)16/h6-7,9H,3-5,8,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFYJLHTIMTHYPFO-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.25
Rot. Bonds5

About 7b-butyl-6-chloro-N-ethyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide

7b-butyl-6-chloro-N-ethyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide (PubChem CID 15959198) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 7b-butyl-6-chloro-N-ethyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide.

Molecular Properties

Compound Name7b-butyl-6-chloro-N-ethyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide
PubChem CID15959198
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name7b-butyl-6-chloro-N-ethyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide
SMILESCCCCC12CC1(C(=O)NCC)C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C17H21ClN2O2/c1-3-5-8-16-10-17(16,14(21)19-4-2)15(22)20-13-7-6-11(18)9-12(13)16/h6-7,9H,3-5,8,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFYJLHTIMTHYPFO-UHFFFAOYSA-N
XLogP3.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7b-butyl-6-chloro-N-ethyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide?
The IUPAC name of 7b-butyl-6-chloro-N-ethyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide (CID 15959198) is 7b-butyl-6-chloro-N-ethyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide.
What is the SMILES notation for 7b-butyl-6-chloro-N-ethyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide?
The canonical SMILES for 7b-butyl-6-chloro-N-ethyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide is CCCCC12CC1(C(=O)NCC)C(=O)Nc1ccc(Cl)cc12.
What is the InChIKey of 7b-butyl-6-chloro-N-ethyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide?
The InChIKey is FYJLHTIMTHYPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-3-5-8-16-10-17(16,14(21)19-4-2)15(22)20-13-7-6-11(18)9-12(13)16/h6-7,9H,3-5,8,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 7b-butyl-6-chloro-N-ethyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide?
7b-butyl-6-chloro-N-ethyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide has a molecular weight of 320.82 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7b-butyl-6-chloro-N-ethyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide is sourced from PubChem (CID 15959198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).