carbonic acid;2-(3,4-dimethoxyphenyl)quinoline

C18H17NO5 — CID 70367637

IUPACcarbonic acid;2-(3,4-dimethoxyphenyl)quinoline
SMILESCOc1ccc(-c2ccc3ccccc3n2)cc1OC.O=C(O)O
InChIInChI=1S/C17H15NO2.CH2O3/c1-19-16-10-8-13(11-17(16)20-2)15-9-7-12-5-3-4-6-14(12)18-15;2-1(3)4/h3-11H,1-2H3;(H2,2,3,4)
InChIKeyIGJRLWFAOBJLTK-UHFFFAOYSA-N
MW327.34 g/mol
LogP4.14
Rot. Bonds3

About carbonic acid;2-(3,4-dimethoxyphenyl)quinoline

carbonic acid;2-(3,4-dimethoxyphenyl)quinoline (PubChem CID 70367637) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is carbonic acid;2-(3,4-dimethoxyphenyl)quinoline.

Molecular Properties

Compound Namecarbonic acid;2-(3,4-dimethoxyphenyl)quinoline
PubChem CID70367637
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Namecarbonic acid;2-(3,4-dimethoxyphenyl)quinoline
SMILESCOc1ccc(-c2ccc3ccccc3n2)cc1OC.O=C(O)O
InChIInChI=1S/C17H15NO2.CH2O3/c1-19-16-10-8-13(11-17(16)20-2)15-9-7-12-5-3-4-6-14(12)18-15;2-1(3)4/h3-11H,1-2H3;(H2,2,3,4)
InChIKeyIGJRLWFAOBJLTK-UHFFFAOYSA-N
XLogP4.14
TPSA88.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dimethoxyphenyl)quinolin-4-yl] hydrogen carbonate
CID 70367689
[(2R)-1-amino-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 7417732
2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 3253298
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1273223
2-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]quinazoline
CID 67688331
2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide
CID 46376165
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
ethyl 2-[3-(3,4-dimethoxyphenyl)benzo[f]quinolin-1-yl]acetate
CID 3648105
2-(3,4-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2161835
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
2-bromo-4-quinolin-2-ylbenzoic acid
CID 139922205
6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidine
CID 68916896

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-(3,4-dimethoxyphenyl)quinoline?
The IUPAC name of carbonic acid;2-(3,4-dimethoxyphenyl)quinoline (CID 70367637) is carbonic acid;2-(3,4-dimethoxyphenyl)quinoline.
What is the SMILES notation for carbonic acid;2-(3,4-dimethoxyphenyl)quinoline?
The canonical SMILES for carbonic acid;2-(3,4-dimethoxyphenyl)quinoline is COc1ccc(-c2ccc3ccccc3n2)cc1OC.O=C(O)O.
What is the InChIKey of carbonic acid;2-(3,4-dimethoxyphenyl)quinoline?
The InChIKey is IGJRLWFAOBJLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2.CH2O3/c1-19-16-10-8-13(11-17(16)20-2)15-9-7-12-5-3-4-6-14(12)18-15;2-1(3)4/h3-11H,1-2H3;(H2,2,3,4).
What are the key properties of carbonic acid;2-(3,4-dimethoxyphenyl)quinoline?
carbonic acid;2-(3,4-dimethoxyphenyl)quinoline has a molecular weight of 327.34 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-(3,4-dimethoxyphenyl)quinoline is sourced from PubChem (CID 70367637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).