4-amino-8-butyl-7-chlorocinnoline-3-carboxamide

C13H15ClN4O — CID 14012294

IUPAC4-amino-8-butyl-7-chlorocinnoline-3-carboxamide
SMILESCCCCc1c(Cl)ccc2c(N)c(C(N)=O)nnc12
InChIInChI=1S/C13H15ClN4O/c1-2-3-4-7-9(14)6-5-8-10(15)12(13(16)19)18-17-11(7)8/h5-6H,2-4H2,1H3,(H2,15,17)(H2,16,19)
InChIKeyMNBZWLKXEIXJPG-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.31
Rot. Bonds4

About 4-amino-8-butyl-7-chlorocinnoline-3-carboxamide

4-amino-8-butyl-7-chlorocinnoline-3-carboxamide (PubChem CID 14012294) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-amino-8-butyl-7-chlorocinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-butyl-7-chlorocinnoline-3-carboxamide
PubChem CID14012294
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name4-amino-8-butyl-7-chlorocinnoline-3-carboxamide
SMILESCCCCc1c(Cl)ccc2c(N)c(C(N)=O)nnc12
InChIInChI=1S/C13H15ClN4O/c1-2-3-4-7-9(14)6-5-8-10(15)12(13(16)19)18-17-11(7)8/h5-6H,2-4H2,1H3,(H2,15,17)(H2,16,19)
InChIKeyMNBZWLKXEIXJPG-UHFFFAOYSA-N
XLogP2.31
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-butyl-7-chlorocinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-butyl-7-chlorocinnoline-3-carboxamide (CID 14012294) is 4-amino-8-butyl-7-chlorocinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-butyl-7-chlorocinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-butyl-7-chlorocinnoline-3-carboxamide is CCCCc1c(Cl)ccc2c(N)c(C(N)=O)nnc12.
What is the InChIKey of 4-amino-8-butyl-7-chlorocinnoline-3-carboxamide?
The InChIKey is MNBZWLKXEIXJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-2-3-4-7-9(14)6-5-8-10(15)12(13(16)19)18-17-11(7)8/h5-6H,2-4H2,1H3,(H2,15,17)(H2,16,19).
What are the key properties of 4-amino-8-butyl-7-chlorocinnoline-3-carboxamide?
4-amino-8-butyl-7-chlorocinnoline-3-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-butyl-7-chlorocinnoline-3-carboxamide is sourced from PubChem (CID 14012294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).