ethane;ethyl 7-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxylate

C18H25NO3 — CID 143904109

IUPACethane;ethyl 7-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxylate
SMILESCC.CCOC(=O)c1cn(C(C)C)c2cc(C)ccc2c1=O
InChIInChI=1S/C16H19NO3.C2H6/c1-5-20-16(19)13-9-17(10(2)3)14-8-11(4)6-7-12(14)15(13)18;1-2/h6-10H,5H2,1-4H3;1-2H3
InChIKeyILICEZXYSZXWPN-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.09
Rot. Bonds3

About ethane;ethyl 7-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxylate

ethane;ethyl 7-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxylate (PubChem CID 143904109) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is ethane;ethyl 7-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 7-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxylate
PubChem CID143904109
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Nameethane;ethyl 7-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxylate
SMILESCC.CCOC(=O)c1cn(C(C)C)c2cc(C)ccc2c1=O
InChIInChI=1S/C16H19NO3.C2H6/c1-5-20-16(19)13-9-17(10(2)3)14-8-11(4)6-7-12(14)15(13)18;1-2/h6-10H,5H2,1-4H3;1-2H3
InChIKeyILICEZXYSZXWPN-UHFFFAOYSA-N
XLogP4.09
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(1-hydroxybutan-2-yl)-6-methyl-4-oxoquinoline-3-carboxylate
CID 90894244
ethyl 1-[(2R)-1-hydroxybutan-2-yl]-6-methyl-4-oxoquinoline-3-carboxylate
CID 143904209
ethyl 7-bromo-1-heptan-4-yl-4-oxoquinoline-3-carboxylate
CID 67267075
ethyl 5,6,7-trifluoro-4-oxo-1-propan-2-ylquinoline-3-carboxylate
CID 167360941
ethyl 7-formyl-1-methyl-4-oxoquinoline-3-carboxylate
CID 22626917
ethyl 1-butan-2-yl-7-chloro-6-fluoro-4-oxoquinoline-3-carboxylate
CID 53416057
4-oxo-1-propan-2-yl-7-propan-2-yloxyquinoline-3-carboxylic acid
CID 82250463
2-(6-methyl-1-propan-2-ylindol-3-yl)propanoic acid
CID 117122158
ethyl 1-[1-(dimethylamino)propan-2-yl]-6-iodo-4-oxoquinoline-3-carboxylate
CID 59416186
ethyl 1-(3-methylbutyl)-4-oxoquinoline-3-carboxylate
CID 11580110
ethyl 6-methyl-4-oxo-1-(pyridin-4-ylmethyl)quinoline-3-carboxylate
CID 143904177
ethyl 1-[(2R)-1-hydroxybutan-2-yl]-6-iodo-4-oxoquinoline-3-carboxylate
CID 59415853

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 7-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxylate?
The IUPAC name of ethane;ethyl 7-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxylate (CID 143904109) is ethane;ethyl 7-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxylate.
What is the SMILES notation for ethane;ethyl 7-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxylate?
The canonical SMILES for ethane;ethyl 7-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxylate is CC.CCOC(=O)c1cn(C(C)C)c2cc(C)ccc2c1=O.
What is the InChIKey of ethane;ethyl 7-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxylate?
The InChIKey is ILICEZXYSZXWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3.C2H6/c1-5-20-16(19)13-9-17(10(2)3)14-8-11(4)6-7-12(14)15(13)18;1-2/h6-10H,5H2,1-4H3;1-2H3.
What are the key properties of ethane;ethyl 7-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxylate?
ethane;ethyl 7-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxylate has a molecular weight of 303.40 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 7-methyl-4-oxo-1-propan-2-ylquinoline-3-carboxylate is sourced from PubChem (CID 143904109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).