quinolin-4-ylmethyl hydrogen carbonate

C11H9NO3 — CID 154246402

IUPACquinolin-4-ylmethyl hydrogen carbonate
SMILESO=C(O)OCc1ccnc2ccccc12
InChIInChI=1S/C11H9NO3/c13-11(14)15-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-6H,7H2,(H,13,14)
InChIKeyHKNYBFOBBBZBFM-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.43
Rot. Bonds2

About quinolin-4-ylmethyl hydrogen carbonate

quinolin-4-ylmethyl hydrogen carbonate (PubChem CID 154246402) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is quinolin-4-ylmethyl hydrogen carbonate.

Molecular Properties

Compound Namequinolin-4-ylmethyl hydrogen carbonate
PubChem CID154246402
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Namequinolin-4-ylmethyl hydrogen carbonate
SMILESO=C(O)OCc1ccnc2ccccc12
InChIInChI=1S/C11H9NO3/c13-11(14)15-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-6H,7H2,(H,13,14)
InChIKeyHKNYBFOBBBZBFM-UHFFFAOYSA-N
XLogP2.43
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

quinolin-4-ylmethyl 5-aminopyridine-2-carboxylate
CID 81312647
quinolin-4-ylmethyl 1H-pyrrole-3-carboxylate
CID 127262545
quinolin-4-ylmethyl 3-aminothiophene-2-carboxylate
CID 79240203
3-methoxy-3-oxo-2-(quinolin-4-ylmethyl)propanoic acid
CID 103973243
1-quinolin-4-ylbutan-2-one
CID 15695851
(2S)-2-amino-3-(quinolin-4-ylmethylsulfanyl)propanoic acid
CID 107773149
2-phenyl-3-quinolin-4-ylpropanoic acid
CID 79422879
4-[amino(quinolin-4-ylmethyl)amino]-4-oxobutanoic acid
CID 174299546
methyl 2-(quinolin-4-ylmethylamino)propanoate
CID 55251614
4-(quinolin-4-ylmethyl)phenol
CID 83128983
3-(quinolin-4-ylmethylsulfanyl)propanoic acid
CID 79235628
3,5-dichloro-4-(quinolin-4-ylmethoxy)aniline
CID 79234359

Frequently Asked Questions

What is the IUPAC name of quinolin-4-ylmethyl hydrogen carbonate?
The IUPAC name of quinolin-4-ylmethyl hydrogen carbonate (CID 154246402) is quinolin-4-ylmethyl hydrogen carbonate.
What is the SMILES notation for quinolin-4-ylmethyl hydrogen carbonate?
The canonical SMILES for quinolin-4-ylmethyl hydrogen carbonate is O=C(O)OCc1ccnc2ccccc12.
What is the InChIKey of quinolin-4-ylmethyl hydrogen carbonate?
The InChIKey is HKNYBFOBBBZBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-11(14)15-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-6H,7H2,(H,13,14).
What are the key properties of quinolin-4-ylmethyl hydrogen carbonate?
quinolin-4-ylmethyl hydrogen carbonate has a molecular weight of 203.20 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-4-ylmethyl hydrogen carbonate is sourced from PubChem (CID 154246402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).