6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile

C14H13ClN4 — CID 141161285

IUPAC6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2c(Cl)cc(N)cc2c1NC1CCC1
InChIInChI=1S/C14H13ClN4/c15-12-5-9(17)4-11-13(19-10-2-1-3-10)8(6-16)7-18-14(11)12/h4-5,7,10H,1-3,17H2,(H,18,19)
InChIKeyXPGXEKWJMUVEQU-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.31
Rot. Bonds2

About 6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile

6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile (PubChem CID 141161285) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile
PubChem CID141161285
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2c(Cl)cc(N)cc2c1NC1CCC1
InChIInChI=1S/C14H13ClN4/c15-12-5-9(17)4-11-13(19-10-2-1-3-10)8(6-16)7-18-14(11)12/h4-5,7,10H,1-3,17H2,(H,18,19)
InChIKeyXPGXEKWJMUVEQU-UHFFFAOYSA-N
XLogP3.31
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile?
The IUPAC name of 6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile (CID 141161285) is 6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile?
The canonical SMILES for 6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile is N#Cc1cnc2c(Cl)cc(N)cc2c1NC1CCC1.
What is the InChIKey of 6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile?
The InChIKey is XPGXEKWJMUVEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c15-12-5-9(17)4-11-13(19-10-2-1-3-10)8(6-16)7-18-14(11)12/h4-5,7,10H,1-3,17H2,(H,18,19).
What are the key properties of 6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile?
6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile has a molecular weight of 272.74 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-chloro-4-(cyclobutylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 141161285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).