2-(cyclopentylamino)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile

C17H21N3O — CID 24777314

IUPAC2-(cyclopentylamino)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile
SMILESCC1(C)CC(=O)c2cc(C#N)c(NC3CCCC3)nc2C1
InChIInChI=1S/C17H21N3O/c1-17(2)8-14-13(15(21)9-17)7-11(10-18)16(20-14)19-12-5-3-4-6-12/h7,12H,3-6,8-9H2,1-2H3,(H,19,20)
InChIKeyRBZTUHDHKPHVJD-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.46
Rot. Bonds2

About 2-(cyclopentylamino)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile

2-(cyclopentylamino)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile (PubChem CID 24777314) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(cyclopentylamino)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(cyclopentylamino)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile
PubChem CID24777314
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(cyclopentylamino)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile
SMILESCC1(C)CC(=O)c2cc(C#N)c(NC3CCCC3)nc2C1
InChIInChI=1S/C17H21N3O/c1-17(2)8-14-13(15(21)9-17)7-11(10-18)16(20-14)19-12-5-3-4-6-12/h7,12H,3-6,8-9H2,1-2H3,(H,19,20)
InChIKeyRBZTUHDHKPHVJD-UHFFFAOYSA-N
XLogP3.46
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile?
The IUPAC name of 2-(cyclopentylamino)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile (CID 24777314) is 2-(cyclopentylamino)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-(cyclopentylamino)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile?
The canonical SMILES for 2-(cyclopentylamino)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile is CC1(C)CC(=O)c2cc(C#N)c(NC3CCCC3)nc2C1.
What is the InChIKey of 2-(cyclopentylamino)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile?
The InChIKey is RBZTUHDHKPHVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-17(2)8-14-13(15(21)9-17)7-11(10-18)16(20-14)19-12-5-3-4-6-12/h7,12H,3-6,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-(cyclopentylamino)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile?
2-(cyclopentylamino)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile has a molecular weight of 283.38 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile is sourced from PubChem (CID 24777314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).