2-ethyl-1-oxo-N-propan-2-ylisoquinoline-3-carboxamide

C15H18N2O2 — CID 171700993

IUPAC2-ethyl-1-oxo-N-propan-2-ylisoquinoline-3-carboxamide
SMILESCCn1c(C(=O)NC(C)C)cc2ccccc2c1=O
InChIInChI=1S/C15H18N2O2/c1-4-17-13(14(18)16-10(2)3)9-11-7-5-6-8-12(11)15(17)19/h5-10H,4H2,1-3H3,(H,16,18)
InChIKeyYHDCMOKUDGYDEG-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.16
Rot. Bonds3

About 2-ethyl-1-oxo-N-propan-2-ylisoquinoline-3-carboxamide

2-ethyl-1-oxo-N-propan-2-ylisoquinoline-3-carboxamide (PubChem CID 171700993) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-ethyl-1-oxo-N-propan-2-ylisoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-1-oxo-N-propan-2-ylisoquinoline-3-carboxamide
PubChem CID171700993
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-ethyl-1-oxo-N-propan-2-ylisoquinoline-3-carboxamide
SMILESCCn1c(C(=O)NC(C)C)cc2ccccc2c1=O
InChIInChI=1S/C15H18N2O2/c1-4-17-13(14(18)16-10(2)3)9-11-7-5-6-8-12(11)15(17)19/h5-10H,4H2,1-3H3,(H,16,18)
InChIKeyYHDCMOKUDGYDEG-UHFFFAOYSA-N
XLogP2.16
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(3-methylbutyl)-1-oxoisoquinoline-3-carboxamide
CID 171997172
2-ethyl-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide
CID 171701221
methyl 2-[(1-ethylindole-2-carbonyl)amino]-3-methylbutanoate
CID 86845751
2-ethyl-3-methylsulfanylisoquinolin-1-one
CID 12593115
1-oxo-N-prop-2-enyl-2-propylisoquinoline-3-carboxamide
CID 171704567
2-ethyl-6-methoxy-N-methyl-1-oxoisoquinoline-3-carboxamide
CID 172902930
methyl 2-[(1-ethylindole-2-carbonyl)amino]-4-methylpentanoate
CID 60550495
N-ethyl-2-methoxy-1-oxoisoquinoline-3-carboxamide
CID 171704849
2-(2-methoxyethyl)-N,N-dimethyl-1-oxoisoquinoline-3-carboxamide
CID 171997190
2-methyl-1-oxo-N-propylisoquinoline-3-carboxamide
CID 171701439
1-ethylindole-2-carbohydrazide
CID 166595239
2-ethyl-7-fluoro-N-(4-fluorophenyl)-1-oxoisoquinoline-3-carboxamide
CID 172904651

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-oxo-N-propan-2-ylisoquinoline-3-carboxamide?
The IUPAC name of 2-ethyl-1-oxo-N-propan-2-ylisoquinoline-3-carboxamide (CID 171700993) is 2-ethyl-1-oxo-N-propan-2-ylisoquinoline-3-carboxamide.
What is the SMILES notation for 2-ethyl-1-oxo-N-propan-2-ylisoquinoline-3-carboxamide?
The canonical SMILES for 2-ethyl-1-oxo-N-propan-2-ylisoquinoline-3-carboxamide is CCn1c(C(=O)NC(C)C)cc2ccccc2c1=O.
What is the InChIKey of 2-ethyl-1-oxo-N-propan-2-ylisoquinoline-3-carboxamide?
The InChIKey is YHDCMOKUDGYDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-17-13(14(18)16-10(2)3)9-11-7-5-6-8-12(11)15(17)19/h5-10H,4H2,1-3H3,(H,16,18).
What are the key properties of 2-ethyl-1-oxo-N-propan-2-ylisoquinoline-3-carboxamide?
2-ethyl-1-oxo-N-propan-2-ylisoquinoline-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-oxo-N-propan-2-ylisoquinoline-3-carboxamide is sourced from PubChem (CID 171700993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).