2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propylpropanamide

C15H19FN4O — CID 83163927

IUPAC2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H19FN4O/c1-3-6-19-15(21)9(2)20-14-11(16)8-12(17)10-5-4-7-18-13(10)14/h4-5,7-9,20H,3,6,17H2,1-2H3,(H,19,21)
InChIKeyANCMUWQZSNWHHI-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.28
Rot. Bonds5

About 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propylpropanamide

2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propylpropanamide (PubChem CID 83163927) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propylpropanamide
PubChem CID83163927
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H19FN4O/c1-3-6-19-15(21)9(2)20-14-11(16)8-12(17)10-5-4-7-18-13(10)14/h4-5,7-9,20H,3,6,17H2,1-2H3,(H,19,21)
InChIKeyANCMUWQZSNWHHI-UHFFFAOYSA-N
XLogP2.28
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-3-quinolin-8-ylurea
CID 250561
Acetamide, 2,2,2-trifluoro-N-8-quinolinyl-
CID 148136
5-Acetylaminoquinoline
CID 162518
N-(quinolin-8-yl)-6-(sulfamoylamino)hexanamide
CID 25216936
3-Acetylaminoquinoline
CID 79448
N-ethyl-N'-(5-nitroquinolin-8-yl)ethane-1,2-diamine
CID 3096073
N-quinolin-8-ylpropanamide
CID 2963713
N-(quinolin-6-yl)acetamide
CID 31176
N-8-Quinolinylacetamide
CID 36591
5-ethyl-6-methyl-3-(3-quinolylmethylamino)-1H-pyridin-2-one
CID 454441
N-1,10-phenanthrolin-5-ylacetamide
CID 18719622
Quinoline-5,6-diamine
CID 426874

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propylpropanamide (CID 83163927) is 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1c(F)cc(N)c2cccnc12.
What is the InChIKey of 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propylpropanamide?
The InChIKey is ANCMUWQZSNWHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-3-6-19-15(21)9(2)20-14-11(16)8-12(17)10-5-4-7-18-13(10)14/h4-5,7-9,20H,3,6,17H2,1-2H3,(H,19,21).
What are the key properties of 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propylpropanamide?
2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propylpropanamide has a molecular weight of 290.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-7-fluoroquinolin-8-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 83163927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).