4-ethyl-2-methylquinoline-3-carboxamide

C13H14N2O — CID 167809004

IUPAC4-ethyl-2-methylquinoline-3-carboxamide
SMILESCCc1c(C(N)=O)c(C)nc2ccccc12
InChIInChI=1S/C13H14N2O/c1-3-9-10-6-4-5-7-11(10)15-8(2)12(9)13(14)16/h4-7H,3H2,1-2H3,(H2,14,16)
InChIKeyRFVNGDGLKQFWHB-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.20
Rot. Bonds2

About 4-ethyl-2-methylquinoline-3-carboxamide

4-ethyl-2-methylquinoline-3-carboxamide (PubChem CID 167809004) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-ethyl-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-2-methylquinoline-3-carboxamide
PubChem CID167809004
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-ethyl-2-methylquinoline-3-carboxamide
SMILESCCc1c(C(N)=O)c(C)nc2ccccc12
InChIInChI=1S/C13H14N2O/c1-3-9-10-6-4-5-7-11(10)15-8(2)12(9)13(14)16/h4-7H,3H2,1-2H3,(H2,14,16)
InChIKeyRFVNGDGLKQFWHB-UHFFFAOYSA-N
XLogP2.20
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methylquinoline-3-carboxamide?
The IUPAC name of 4-ethyl-2-methylquinoline-3-carboxamide (CID 167809004) is 4-ethyl-2-methylquinoline-3-carboxamide.
What is the SMILES notation for 4-ethyl-2-methylquinoline-3-carboxamide?
The canonical SMILES for 4-ethyl-2-methylquinoline-3-carboxamide is CCc1c(C(N)=O)c(C)nc2ccccc12.
What is the InChIKey of 4-ethyl-2-methylquinoline-3-carboxamide?
The InChIKey is RFVNGDGLKQFWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-3-9-10-6-4-5-7-11(10)15-8(2)12(9)13(14)16/h4-7H,3H2,1-2H3,(H2,14,16).
What are the key properties of 4-ethyl-2-methylquinoline-3-carboxamide?
4-ethyl-2-methylquinoline-3-carboxamide has a molecular weight of 214.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 167809004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).