N-[4-[3-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]-2-methylpropanamide

C24H29N3O4 — CID 155515718

IUPACN-[4-[3-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1
InChIInChI=1S/C24H29N3O4/c1-15(2)24(31)26-17-7-5-16(6-8-17)4-3-13-25-14-21(29)18-9-11-20(28)23-19(18)10-12-22(30)27-23/h5-12,15,21,25,28-29H,3-4,13-14H2,1-2H3,(H,26,31)(H,27,30)
InChIKeySPGYWARHPDYEQD-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.08
Rot. Bonds9

About N-[4-[3-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]-2-methylpropanamide

N-[4-[3-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]-2-methylpropanamide (PubChem CID 155515718) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[4-[3-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[3-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]-2-methylpropanamide
PubChem CID155515718
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[4-[3-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1
InChIInChI=1S/C24H29N3O4/c1-15(2)24(31)26-17-7-5-16(6-8-17)4-3-13-25-14-21(29)18-9-11-20(28)23-19(18)10-12-22(30)27-23/h5-12,15,21,25,28-29H,3-4,13-14H2,1-2H3,(H,26,31)(H,27,30)
InChIKeySPGYWARHPDYEQD-UHFFFAOYSA-N
XLogP3.08
TPSA114.45 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[3-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]-2-methylpropanamide (CID 155515718) is N-[4-[3-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[3-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[3-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(CCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1.
What is the InChIKey of N-[4-[3-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]-2-methylpropanamide?
The InChIKey is SPGYWARHPDYEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-15(2)24(31)26-17-7-5-16(6-8-17)4-3-13-25-14-21(29)18-9-11-20(28)23-19(18)10-12-22(30)27-23/h5-12,15,21,25,28-29H,3-4,13-14H2,1-2H3,(H,26,31)(H,27,30).
What are the key properties of N-[4-[3-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]-2-methylpropanamide?
N-[4-[3-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]-2-methylpropanamide has a molecular weight of 423.51 g/mol, XLogP of 3.08, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]propyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 155515718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).