N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide

C18H23N3O2 — CID 24529352

IUPACN-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C18H23N3O2/c1-5-21(11-17(22)19-12(2)3)18(23)15-10-13(4)20-16-9-7-6-8-14(15)16/h6-10,12H,5,11H2,1-4H3,(H,19,22)
InChIKeyXADPOZBLCIIREJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.53
Rot. Bonds5

About N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide

N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide (PubChem CID 24529352) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
PubChem CID24529352
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C18H23N3O2/c1-5-21(11-17(22)19-12(2)3)18(23)15-10-13(4)20-16-9-7-6-8-14(15)16/h6-10,12H,5,11H2,1-4H3,(H,19,22)
InChIKeyXADPOZBLCIIREJ-UHFFFAOYSA-N
XLogP2.53
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(6-methoxynaphthalen-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
CID 55343603
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-3-carboxamide
CID 60659810
N,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 134005837
N-ethyl-2-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 18155625
2-amino-N,N-diethylquinoline-4-carboxamide
CID 62155871
3-methyl-1-(2-methylquinolin-4-yl)but-3-en-1-one
CID 105112623
N-ethyl-2-hydrazinyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 62242827
N-ethyl-4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylphthalazine-1-carboxamide
CID 51157073
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 51205503
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
2-ethyl-1-(2-methylquinolin-4-yl)butan-1-one
CID 102319888
3-methyl-1-(2-methylquinolin-4-yl)butan-1-one
CID 105077594

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide?
The IUPAC name of N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide (CID 24529352) is N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide?
The canonical SMILES for N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide is CCN(CC(=O)NC(C)C)C(=O)c1cc(C)nc2ccccc12.
What is the InChIKey of N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide?
The InChIKey is XADPOZBLCIIREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-5-21(11-17(22)19-12(2)3)18(23)15-10-13(4)20-16-9-7-6-8-14(15)16/h6-10,12H,5,11H2,1-4H3,(H,19,22).
What are the key properties of N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide?
N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 24529352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).