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

C15H15ClN2O — CID 15959189

IUPAC7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carbonitrile
SMILESCCCCC12CC1(C#N)C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C15H15ClN2O/c1-2-3-6-14-8-15(14,9-17)13(19)18-12-5-4-10(16)7-11(12)14/h4-5,7H,2-3,6,8H2,1H3,(H,18,19)
InChIKeyRLPQCZRRUVMDKL-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.63
Rot. Bonds3

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

7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carbonitrile (PubChem CID 15959189) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carbonitrile.

Molecular Properties

Compound Name7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carbonitrile
PubChem CID15959189
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carbonitrile
SMILESCCCCC12CC1(C#N)C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C15H15ClN2O/c1-2-3-6-14-8-15(14,9-17)13(19)18-12-5-4-10(16)7-11(12)14/h4-5,7H,2-3,6,8H2,1H3,(H,18,19)
InChIKeyRLPQCZRRUVMDKL-UHFFFAOYSA-N
XLogP3.63
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-carbonitrile?
The IUPAC name of 7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carbonitrile (CID 15959189) is 7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carbonitrile.
What is the SMILES notation for 7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carbonitrile?
The canonical SMILES for 7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carbonitrile is CCCCC12CC1(C#N)C(=O)Nc1ccc(Cl)cc12.
What is the InChIKey of 7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carbonitrile?
The InChIKey is RLPQCZRRUVMDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-2-3-6-14-8-15(14,9-17)13(19)18-12-5-4-10(16)7-11(12)14/h4-5,7H,2-3,6,8H2,1H3,(H,18,19).
What are the key properties of 7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carbonitrile?
7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carbonitrile has a molecular weight of 274.75 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 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-carbonitrile is sourced from PubChem (CID 15959189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).