2-(cyclopentylamino)-1-quinolin-5-ylethanone

C16H18N2O — CID 116559111

IUPAC2-(cyclopentylamino)-1-quinolin-5-ylethanone
SMILESO=C(CNC1CCCC1)c1cccc2ncccc12
InChIInChI=1S/C16H18N2O/c19-16(11-18-12-5-1-2-6-12)14-7-3-9-15-13(14)8-4-10-17-15/h3-4,7-10,12,18H,1-2,5-6,11H2
InChIKeyPYWXRJYQFLPEJO-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.95
Rot. Bonds4

About 2-(cyclopentylamino)-1-quinolin-5-ylethanone

2-(cyclopentylamino)-1-quinolin-5-ylethanone (PubChem CID 116559111) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(cyclopentylamino)-1-quinolin-5-ylethanone.

Molecular Properties

Compound Name2-(cyclopentylamino)-1-quinolin-5-ylethanone
PubChem CID116559111
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-(cyclopentylamino)-1-quinolin-5-ylethanone
SMILESO=C(CNC1CCCC1)c1cccc2ncccc12
InChIInChI=1S/C16H18N2O/c19-16(11-18-12-5-1-2-6-12)14-7-3-9-15-13(14)8-4-10-17-15/h3-4,7-10,12,18H,1-2,5-6,11H2
InChIKeyPYWXRJYQFLPEJO-UHFFFAOYSA-N
XLogP2.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-1-naphthalen-1-ylethanone
CID 116555226
3,3,3-trifluoro-1-quinolin-5-ylpropan-1-one
CID 81220780
N-(2-amino-1-cyclopentylethyl)quinoline-5-carboxamide
CID 106737604
2-(oxan-4-yl)-1-quinolin-5-ylethanone
CID 105092025
3-methyl-1-quinolin-5-ylbut-3-en-1-one
CID 105112604
3-(oxolan-2-yl)-1-quinolin-5-ylpropan-1-one
CID 115789835
1-quinolin-5-ylbut-3-yn-1-one
CID 105076404
2-tert-butylsulfanyl-1-quinolin-5-ylethanone
CID 81220116
1-(cyclopropylamino)-3-quinolin-4-ylpropan-2-one
CID 116555099
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide
CID 71896675
N-(4-ethylcyclohexyl)quinoline-5-carboxamide
CID 145451400
1-quinolin-5-ylhexan-1-one
CID 115789824

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-1-quinolin-5-ylethanone?
The IUPAC name of 2-(cyclopentylamino)-1-quinolin-5-ylethanone (CID 116559111) is 2-(cyclopentylamino)-1-quinolin-5-ylethanone.
What is the SMILES notation for 2-(cyclopentylamino)-1-quinolin-5-ylethanone?
The canonical SMILES for 2-(cyclopentylamino)-1-quinolin-5-ylethanone is O=C(CNC1CCCC1)c1cccc2ncccc12.
What is the InChIKey of 2-(cyclopentylamino)-1-quinolin-5-ylethanone?
The InChIKey is PYWXRJYQFLPEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-16(11-18-12-5-1-2-6-12)14-7-3-9-15-13(14)8-4-10-17-15/h3-4,7-10,12,18H,1-2,5-6,11H2.
What are the key properties of 2-(cyclopentylamino)-1-quinolin-5-ylethanone?
2-(cyclopentylamino)-1-quinolin-5-ylethanone has a molecular weight of 254.33 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-1-quinolin-5-ylethanone is sourced from PubChem (CID 116559111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).