N-[2-(diethylamino)-2-oxo-1-phenylethyl]quinoline-6-carboxamide

C22H23N3O2 — CID 142776250

IUPACN-[2-(diethylamino)-2-oxo-1-phenylethyl]quinoline-6-carboxamide
SMILESCCN(CC)C(=O)C(NC(=O)c1ccc2ncccc2c1)c1ccccc1
InChIInChI=1S/C22H23N3O2/c1-3-25(4-2)22(27)20(16-9-6-5-7-10-16)24-21(26)18-12-13-19-17(15-18)11-8-14-23-19/h5-15,20H,3-4H2,1-2H3,(H,24,26)
InChIKeyKSHAIBFDQGVWRX-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.57
Rot. Bonds6

About N-[2-(diethylamino)-2-oxo-1-phenylethyl]quinoline-6-carboxamide

N-[2-(diethylamino)-2-oxo-1-phenylethyl]quinoline-6-carboxamide (PubChem CID 142776250) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxo-1-phenylethyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxo-1-phenylethyl]quinoline-6-carboxamide
PubChem CID142776250
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[2-(diethylamino)-2-oxo-1-phenylethyl]quinoline-6-carboxamide
SMILESCCN(CC)C(=O)C(NC(=O)c1ccc2ncccc2c1)c1ccccc1
InChIInChI=1S/C22H23N3O2/c1-3-25(4-2)22(27)20(16-9-6-5-7-10-16)24-21(26)18-12-13-19-17(15-18)11-8-14-23-19/h5-15,20H,3-4H2,1-2H3,(H,24,26)
InChIKeyKSHAIBFDQGVWRX-UHFFFAOYSA-N
XLogP3.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110306222
2-(quinoline-6-carbonylamino)butanoic acid
CID 62848486
2-(quinoline-6-carbonylamino)pentanoic acid
CID 62849349
N-[2-(butylsulfonylamino)-1-phenylethyl]quinoline-6-carboxamide
CID 69277574
2-[ethyl(quinoline-6-carbonyl)amino]acetic acid
CID 62849704
N-(2-ethylbutyl)quinoline-6-carboxamide
CID 115613111
N-(1-aminopropan-2-yl)quinoline-6-carboxamide
CID 63730919
N-(1-amino-1-hydroxyiminobutan-2-yl)quinoline-6-carboxamide
CID 76975214
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
N-[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl]quinoline-6-carboxamide
CID 69276128
N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110306227
(2S)-4-hydroxy-2-(quinoline-6-carbonylamino)butanoic acid
CID 107821934

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxo-1-phenylethyl]quinoline-6-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-oxo-1-phenylethyl]quinoline-6-carboxamide (CID 142776250) is N-[2-(diethylamino)-2-oxo-1-phenylethyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxo-1-phenylethyl]quinoline-6-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxo-1-phenylethyl]quinoline-6-carboxamide is CCN(CC)C(=O)C(NC(=O)c1ccc2ncccc2c1)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-oxo-1-phenylethyl]quinoline-6-carboxamide?
The InChIKey is KSHAIBFDQGVWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-3-25(4-2)22(27)20(16-9-6-5-7-10-16)24-21(26)18-12-13-19-17(15-18)11-8-14-23-19/h5-15,20H,3-4H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(diethylamino)-2-oxo-1-phenylethyl]quinoline-6-carboxamide?
N-[2-(diethylamino)-2-oxo-1-phenylethyl]quinoline-6-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxo-1-phenylethyl]quinoline-6-carboxamide is sourced from PubChem (CID 142776250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).