2-methyl-4-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide

C24H28N2O2 — CID 23635897

IUPAC2-methyl-4-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide
SMILESCCCCCn1c(C)c(C(=O)NC(C)c2ccccc2)c(=O)c2ccccc21
InChIInChI=1S/C24H28N2O2/c1-4-5-11-16-26-18(3)22(23(27)20-14-9-10-15-21(20)26)24(28)25-17(2)19-12-7-6-8-13-19/h6-10,12-15,17H,4-5,11,16H2,1-3H3,(H,25,28)
InChIKeyVUROPKVYUGONAQ-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.99
Rot. Bonds7

About 2-methyl-4-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide

2-methyl-4-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide (PubChem CID 23635897) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-methyl-4-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-4-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide
PubChem CID23635897
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2-methyl-4-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide
SMILESCCCCCn1c(C)c(C(=O)NC(C)c2ccccc2)c(=O)c2ccccc21
InChIInChI=1S/C24H28N2O2/c1-4-5-11-16-26-18(3)22(23(27)20-14-9-10-15-21(20)26)24(28)25-17(2)19-12-7-6-8-13-19/h6-10,12-15,17H,4-5,11,16H2,1-3H3,(H,25,28)
InChIKeyVUROPKVYUGONAQ-UHFFFAOYSA-N
XLogP4.99
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide
CID 54687736
(2-methyl-1-undecylindol-3-yl)-phenylmethanone
CID 70525759
1-(2-cyanoethyl)-4-hydroxy-2-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide
CID 99806670
4-hydroxy-2-oxo-N-(1-phenylethyl)-1-prop-2-enylquinoline-3-carboxamide
CID 54676603
5,12-dioctylquinolino[2,3-b]acridine-7,14-dione
CID 58900781
benzene;9-octylcarbazole
CID 175067369
4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]-7-pyrrolidin-1-ylquinoline-3-carboxamide
CID 25033665
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 7455033
(2-methyl-1-pentylindol-3-yl)-(4-propylnaphthalen-1-yl)methanone
CID 45272121
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
9-docosylcarbazole
CID 10528568
9-hexadecylcarbazole
CID 4166588

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide?
The IUPAC name of 2-methyl-4-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide (CID 23635897) is 2-methyl-4-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-4-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide?
The canonical SMILES for 2-methyl-4-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide is CCCCCn1c(C)c(C(=O)NC(C)c2ccccc2)c(=O)c2ccccc21.
What is the InChIKey of 2-methyl-4-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide?
The InChIKey is VUROPKVYUGONAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-4-5-11-16-26-18(3)22(23(27)20-14-9-10-15-21(20)26)24(28)25-17(2)19-12-7-6-8-13-19/h6-10,12-15,17H,4-5,11,16H2,1-3H3,(H,25,28).
What are the key properties of 2-methyl-4-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide?
2-methyl-4-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide is sourced from PubChem (CID 23635897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).