5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide

C18H23N3O2 — CID 94947045

IUPAC5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide
SMILESC=CCNC(=O)c1cn(CCCCC)c2cccc(N)c2c1=O
InChIInChI=1S/C18H23N3O2/c1-3-5-6-11-21-12-13(18(23)20-10-4-2)17(22)16-14(19)8-7-9-15(16)21/h4,7-9,12H,2-3,5-6,10-11,19H2,1H3,(H,20,23)
InChIKeyCCEWDLGISKCMGJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.69
Rot. Bonds7

About 5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide

5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide (PubChem CID 94947045) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide.

Molecular Properties

Compound Name5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide
PubChem CID94947045
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide
SMILESC=CCNC(=O)c1cn(CCCCC)c2cccc(N)c2c1=O
InChIInChI=1S/C18H23N3O2/c1-3-5-6-11-21-12-13(18(23)20-10-4-2)17(22)16-14(19)8-7-9-15(16)21/h4,7-9,12H,2-3,5-6,10-11,19H2,1H3,(H,20,23)
InChIKeyCCEWDLGISKCMGJ-UHFFFAOYSA-N
XLogP2.69
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-(2-methoxyethyl)-4-oxo-N-prop-2-enylquinoline-3-carboxamide
CID 82212612
5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 94947111
5-amino-N-ethyl-1-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide
CID 82212450
2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid
CID 82212467
5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide
CID 82212481
5-amino-N,1-diethyl-4-oxoquinoline-3-carboxamide
CID 82212545
5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide
CID 82212638
5-amino-1-[3-(dimethylamino)propyl]-N,N-dimethyl-4-oxoquinoline-3-carboxamide
CID 94947311
5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212672
5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide
CID 82212557
5-amino-4-oxo-1-(3-propan-2-yloxypropyl)quinoline-3-carboxylic acid
CID 82212891
3-amino-2-methyl-N-prop-2-enylbenzamide
CID 28723067

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide?
The IUPAC name of 5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide (CID 94947045) is 5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide.
What is the SMILES notation for 5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide?
The canonical SMILES for 5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide is C=CCNC(=O)c1cn(CCCCC)c2cccc(N)c2c1=O.
What is the InChIKey of 5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide?
The InChIKey is CCEWDLGISKCMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-5-6-11-21-12-13(18(23)20-10-4-2)17(22)16-14(19)8-7-9-15(16)21/h4,7-9,12H,2-3,5-6,10-11,19H2,1H3,(H,20,23).
What are the key properties of 5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide?
5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide is sourced from PubChem (CID 94947045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).