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

C15H17ClN2O2 — CID 15959197

IUPAC7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide
SMILESCCCCC12CC1(C(N)=O)C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C15H17ClN2O2/c1-2-3-6-14-8-15(14,12(17)19)13(20)18-11-5-4-9(16)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3,(H2,17,19)(H,18,20)
InChIKeyXGIVVAMNUVRXLF-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.60
Rot. Bonds4

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

7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide (PubChem CID 15959197) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide.

Molecular Properties

Compound Name7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide
PubChem CID15959197
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide
SMILESCCCCC12CC1(C(N)=O)C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C15H17ClN2O2/c1-2-3-6-14-8-15(14,12(17)19)13(20)18-11-5-4-9(16)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3,(H2,17,19)(H,18,20)
InChIKeyXGIVVAMNUVRXLF-UHFFFAOYSA-N
XLogP2.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.60
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-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide?
The IUPAC name of 7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide (CID 15959197) is 7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide.
What is the SMILES notation for 7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide?
The canonical SMILES for 7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide is CCCCC12CC1(C(N)=O)C(=O)Nc1ccc(Cl)cc12.
What is the InChIKey of 7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide?
The InChIKey is XGIVVAMNUVRXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-2-3-6-14-8-15(14,12(17)19)13(20)18-11-5-4-9(16)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of 7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide?
7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide is sourced from PubChem (CID 15959197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).