4-ethylquinoline-2-carboxamide

C12H12N2O — CID 174714299

IUPAC4-ethylquinoline-2-carboxamide
SMILESCCc1cc(C(N)=O)nc2ccccc12
InChIInChI=1S/C12H12N2O/c1-2-8-7-11(12(13)15)14-10-6-4-3-5-9(8)10/h3-7H,2H2,1H3,(H2,13,15)
InChIKeyWDTABRNUGRMRGB-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.90
Rot. Bonds2

About 4-ethylquinoline-2-carboxamide

4-ethylquinoline-2-carboxamide (PubChem CID 174714299) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-ethylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-ethylquinoline-2-carboxamide
PubChem CID174714299
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-ethylquinoline-2-carboxamide
SMILESCCc1cc(C(N)=O)nc2ccccc12
InChIInChI=1S/C12H12N2O/c1-2-8-7-11(12(13)15)14-10-6-4-3-5-9(8)10/h3-7H,2H2,1H3,(H2,13,15)
InChIKeyWDTABRNUGRMRGB-UHFFFAOYSA-N
XLogP1.90
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline
CID 142357464
ethane;4-ethyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]quinoline
CID 142357463
4-ethyl-2-methylquinoline-3-carboxamide
CID 167809004
4-ethyl-N-[4-(prop-1-en-2-ylamino)phenyl]quinoline-2-carboxamide
CID 143052135
4-ethylquinazoline-2-carboxamide;dihydrochloride
CID 89487232
4-(4-bromophenyl)quinoline-2-carboxamide
CID 71566349
2-[(4-ethylquinolin-2-yl)-methylamino]acetic acid
CID 175474960
4-(2-phenylethyl)quinoline-2-carboxylic acid;hydrochloride
CID 157400114
2-methyl-2-[(2-methylquinolin-4-yl)methylamino]propanamide
CID 79234871
methyl 4-pentylquinoline-2-carboxylate
CID 174963802
ethyl 4-fluoroquinoline-2-carboxylate
CID 125473134
4-(5-methyl-1-phenylpyrazol-4-yl)quinoline-2-carboxamide
CID 71566348

Frequently Asked Questions

What is the IUPAC name of 4-ethylquinoline-2-carboxamide?
The IUPAC name of 4-ethylquinoline-2-carboxamide (CID 174714299) is 4-ethylquinoline-2-carboxamide.
What is the SMILES notation for 4-ethylquinoline-2-carboxamide?
The canonical SMILES for 4-ethylquinoline-2-carboxamide is CCc1cc(C(N)=O)nc2ccccc12.
What is the InChIKey of 4-ethylquinoline-2-carboxamide?
The InChIKey is WDTABRNUGRMRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-8-7-11(12(13)15)14-10-6-4-3-5-9(8)10/h3-7H,2H2,1H3,(H2,13,15).
What are the key properties of 4-ethylquinoline-2-carboxamide?
4-ethylquinoline-2-carboxamide has a molecular weight of 200.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylquinoline-2-carboxamide is sourced from PubChem (CID 174714299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).