[2-(3,4-dimethoxyphenyl)quinolin-4-yl] hydrogen carbonate

C18H15NO5 — CID 70367689

IUPAC[2-(3,4-dimethoxyphenyl)quinolin-4-yl] hydrogen carbonate
SMILESCOc1ccc(-c2cc(OC(=O)O)c3ccccc3n2)cc1OC
InChIInChI=1S/C18H15NO5/c1-22-15-8-7-11(9-17(15)23-2)14-10-16(24-18(20)21)12-5-3-4-6-13(12)19-14/h3-10H,1-2H3,(H,20,21)
InChIKeyKIONPDTWIRHWNJ-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.98
Rot. Bonds4

About [2-(3,4-dimethoxyphenyl)quinolin-4-yl] hydrogen carbonate

[2-(3,4-dimethoxyphenyl)quinolin-4-yl] hydrogen carbonate (PubChem CID 70367689) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)quinolin-4-yl] hydrogen carbonate.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)quinolin-4-yl] hydrogen carbonate
PubChem CID70367689
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name[2-(3,4-dimethoxyphenyl)quinolin-4-yl] hydrogen carbonate
SMILESCOc1ccc(-c2cc(OC(=O)O)c3ccccc3n2)cc1OC
InChIInChI=1S/C18H15NO5/c1-22-15-8-7-11(9-17(15)23-2)14-10-16(24-18(20)21)12-5-3-4-6-13(12)19-14/h3-10H,1-2H3,(H,20,21)
InChIKeyKIONPDTWIRHWNJ-UHFFFAOYSA-N
XLogP3.98
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

carbonic acid;2-(3,4-dimethoxyphenyl)quinoline
CID 70367637
[(2R)-1-amino-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 7417732
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-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 16530903
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
(4-methoxyquinolin-2-yl) hydrogen carbonate
CID 70267248
cyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 23823125
2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)quinoline-4-carboxamide
CID 3494981
2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4745196
[4-(4-methoxyquinolin-2-yl)phenyl]methanol
CID 46933322

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)quinolin-4-yl] hydrogen carbonate?
The IUPAC name of [2-(3,4-dimethoxyphenyl)quinolin-4-yl] hydrogen carbonate (CID 70367689) is [2-(3,4-dimethoxyphenyl)quinolin-4-yl] hydrogen carbonate.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)quinolin-4-yl] hydrogen carbonate?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)quinolin-4-yl] hydrogen carbonate is COc1ccc(-c2cc(OC(=O)O)c3ccccc3n2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)quinolin-4-yl] hydrogen carbonate?
The InChIKey is KIONPDTWIRHWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-22-15-8-7-11(9-17(15)23-2)14-10-16(24-18(20)21)12-5-3-4-6-13(12)19-14/h3-10H,1-2H3,(H,20,21).
What are the key properties of [2-(3,4-dimethoxyphenyl)quinolin-4-yl] hydrogen carbonate?
[2-(3,4-dimethoxyphenyl)quinolin-4-yl] hydrogen carbonate has a molecular weight of 325.32 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)quinolin-4-yl] hydrogen carbonate is sourced from PubChem (CID 70367689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).