1-ethyl-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxoquinoline-3-carboxamide

C23H26N2O2 — CID 30132114

IUPAC1-ethyl-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2c(C)cccc2C(C)C)c(=O)c2cc(C)ccc21
InChIInChI=1S/C23H26N2O2/c1-6-25-13-19(22(26)18-12-15(4)10-11-20(18)25)23(27)24-21-16(5)8-7-9-17(21)14(2)3/h7-14H,6H2,1-5H3,(H,24,27)
InChIKeyDHWJDSNHEMPKHT-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.01
Rot. Bonds4

About 1-ethyl-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxoquinoline-3-carboxamide

1-ethyl-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxoquinoline-3-carboxamide (PubChem CID 30132114) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-ethyl-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxoquinoline-3-carboxamide
PubChem CID30132114
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-ethyl-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2c(C)cccc2C(C)C)c(=O)c2cc(C)ccc21
InChIInChI=1S/C23H26N2O2/c1-6-25-13-19(22(26)18-12-15(4)10-11-20(18)25)23(27)24-21-16(5)8-7-9-17(21)14(2)3/h7-14H,6H2,1-5H3,(H,24,27)
InChIKeyDHWJDSNHEMPKHT-UHFFFAOYSA-N
XLogP5.01
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850917
N-(2,3-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850888
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-6-methyl-4-oxoquinoline-3-carboxamide
CID 30132118
1-ethyl-6-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
CID 30132048
1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
CID 39851051
1-ethyl-6-methoxy-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide
CID 30132855
6-chloro-1-ethyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide
CID 30463999
1-acetyl-5-methoxy-N-(2-methyl-6-propan-2-ylphenyl)indole-3-carboxamide
CID 113212789
2-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 4106952
1-ethyl-6-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-3-carboxamide
CID 43888724
1-ethyl-6-methoxy-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
CID 27260830
1-ethyl-6-methoxy-N-(6-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
CID 27243880

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxoquinoline-3-carboxamide (CID 30132114) is 1-ethyl-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)Nc2c(C)cccc2C(C)C)c(=O)c2cc(C)ccc21.
What is the InChIKey of 1-ethyl-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxoquinoline-3-carboxamide?
The InChIKey is DHWJDSNHEMPKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-6-25-13-19(22(26)18-12-15(4)10-11-20(18)25)23(27)24-21-16(5)8-7-9-17(21)14(2)3/h7-14H,6H2,1-5H3,(H,24,27).
What are the key properties of 1-ethyl-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxoquinoline-3-carboxamide?
1-ethyl-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxoquinoline-3-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 30132114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).