ethyl 3-methyl-2-quinolin-7-ylbutanoate

C16H19NO2 — CID 81224996

IUPACethyl 3-methyl-2-quinolin-7-ylbutanoate
SMILESCCOC(=O)C(c1ccc2cccnc2c1)C(C)C
InChIInChI=1S/C16H19NO2/c1-4-19-16(18)15(11(2)3)13-8-7-12-6-5-9-17-14(12)10-13/h5-11,15H,4H2,1-3H3
InChIKeyACZHLXKGKUGNJI-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.54
Rot. Bonds4

About ethyl 3-methyl-2-quinolin-7-ylbutanoate

ethyl 3-methyl-2-quinolin-7-ylbutanoate (PubChem CID 81224996) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl 3-methyl-2-quinolin-7-ylbutanoate.

Molecular Properties

Compound Nameethyl 3-methyl-2-quinolin-7-ylbutanoate
PubChem CID81224996
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Nameethyl 3-methyl-2-quinolin-7-ylbutanoate
SMILESCCOC(=O)C(c1ccc2cccnc2c1)C(C)C
InChIInChI=1S/C16H19NO2/c1-4-19-16(18)15(11(2)3)13-8-7-12-6-5-9-17-14(12)10-13/h5-11,15H,4H2,1-3H3
InChIKeyACZHLXKGKUGNJI-UHFFFAOYSA-N
XLogP3.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-2-quinolin-6-ylpropanoate
CID 86328869
2,2-diethoxy-1-quinolin-7-ylethanol
CID 81220002
(2-ethoxy-3-methyl-1-quinolin-7-ylbutyl)hydrazine
CID 105272354
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
2-methyl-N-propyl-1-quinolin-7-ylpropan-1-amine
CID 81220696
2,2-dimethyl-1-quinolin-7-ylpropan-1-amine
CID 81220535
2-methyl-1-quinolin-7-ylhexan-1-amine
CID 114246526
ethyl 3,4-dihydroxy-4-quinolin-6-ylbutanoate
CID 171897595
N-ethyl-1-quinolin-7-ylethanamine
CID 81221005
3-methyl-2-quinolin-6-ylbutanoic acid
CID 81224451
(1S)-1-quinolin-7-ylnonan-1-ol
CID 15658090
1-quinolin-7-ylpropane-1,2,3-triol
CID 170818071

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-2-quinolin-7-ylbutanoate?
The IUPAC name of ethyl 3-methyl-2-quinolin-7-ylbutanoate (CID 81224996) is ethyl 3-methyl-2-quinolin-7-ylbutanoate.
What is the SMILES notation for ethyl 3-methyl-2-quinolin-7-ylbutanoate?
The canonical SMILES for ethyl 3-methyl-2-quinolin-7-ylbutanoate is CCOC(=O)C(c1ccc2cccnc2c1)C(C)C.
What is the InChIKey of ethyl 3-methyl-2-quinolin-7-ylbutanoate?
The InChIKey is ACZHLXKGKUGNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-4-19-16(18)15(11(2)3)13-8-7-12-6-5-9-17-14(12)10-13/h5-11,15H,4H2,1-3H3.
What are the key properties of ethyl 3-methyl-2-quinolin-7-ylbutanoate?
ethyl 3-methyl-2-quinolin-7-ylbutanoate has a molecular weight of 257.33 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-2-quinolin-7-ylbutanoate is sourced from PubChem (CID 81224996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).