N-ethyl-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-6,8-dihydroquinoline-3-carboxamide

C20H23N3O2 — CID 143246773

IUPACN-ethyl-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-6,8-dihydroquinoline-3-carboxamide
SMILESCCNC(=O)c1c(C)nc2c(c1-c1ccccn1)C(=O)CC(C)(C)C2
InChIInChI=1S/C20H23N3O2/c1-5-21-19(25)16-12(2)23-14-10-20(3,4)11-15(24)17(14)18(16)13-8-6-7-9-22-13/h6-9H,5,10-11H2,1-4H3,(H,21,25)
InChIKeyLNFGJQLVLMIXFT-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.36
Rot. Bonds3

About N-ethyl-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-6,8-dihydroquinoline-3-carboxamide

N-ethyl-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-6,8-dihydroquinoline-3-carboxamide (PubChem CID 143246773) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-ethyl-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-6,8-dihydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-6,8-dihydroquinoline-3-carboxamide
PubChem CID143246773
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-ethyl-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-6,8-dihydroquinoline-3-carboxamide
SMILESCCNC(=O)c1c(C)nc2c(c1-c1ccccn1)C(=O)CC(C)(C)C2
InChIInChI=1S/C20H23N3O2/c1-5-21-19(25)16-12(2)23-14-10-20(3,4)11-15(24)17(14)18(16)13-8-6-7-9-22-13/h6-9H,5,10-11H2,1-4H3,(H,21,25)
InChIKeyLNFGJQLVLMIXFT-UHFFFAOYSA-N
XLogP3.36
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-6,8-dihydroquinoline-3-carboxamide?
The IUPAC name of N-ethyl-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-6,8-dihydroquinoline-3-carboxamide (CID 143246773) is N-ethyl-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-6,8-dihydroquinoline-3-carboxamide.
What is the SMILES notation for N-ethyl-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-6,8-dihydroquinoline-3-carboxamide?
The canonical SMILES for N-ethyl-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-6,8-dihydroquinoline-3-carboxamide is CCNC(=O)c1c(C)nc2c(c1-c1ccccn1)C(=O)CC(C)(C)C2.
What is the InChIKey of N-ethyl-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-6,8-dihydroquinoline-3-carboxamide?
The InChIKey is LNFGJQLVLMIXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-5-21-19(25)16-12(2)23-14-10-20(3,4)11-15(24)17(14)18(16)13-8-6-7-9-22-13/h6-9H,5,10-11H2,1-4H3,(H,21,25).
What are the key properties of N-ethyl-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-6,8-dihydroquinoline-3-carboxamide?
N-ethyl-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-6,8-dihydroquinoline-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,7,7-trimethyl-5-oxo-4-pyridin-2-yl-6,8-dihydroquinoline-3-carboxamide is sourced from PubChem (CID 143246773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).