2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]-N-propylpropanamide

C15H23N3O2 — CID 81107697

IUPAC2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C15H23N3O2/c1-3-9-16-15(20)10(2)17-12-5-4-6-13-11(12)7-8-14(19)18-13/h7-8,10,12,17H,3-6,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFLDOKXZNPIBZGP-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.26
Rot. Bonds5

About 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]-N-propylpropanamide

2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]-N-propylpropanamide (PubChem CID 81107697) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]-N-propylpropanamide
PubChem CID81107697
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C15H23N3O2/c1-3-9-16-15(20)10(2)17-12-5-4-6-13-11(12)7-8-14(19)18-13/h7-8,10,12,17H,3-6,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFLDOKXZNPIBZGP-UHFFFAOYSA-N
XLogP1.26
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]-N-propylpropanamide (CID 81107697) is 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)NC1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]-N-propylpropanamide?
The InChIKey is FLDOKXZNPIBZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-9-16-15(20)10(2)17-12-5-4-6-13-11(12)7-8-14(19)18-13/h7-8,10,12,17H,3-6,9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]-N-propylpropanamide?
2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]-N-propylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 81107697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).