(7-butyl-4-oxo-1H-quinolin-2-yl) hydrogen carbonate

C14H15NO4 — CID 67863263

IUPAC(7-butyl-4-oxo-1H-quinolin-2-yl) hydrogen carbonate
SMILESCCCCc1ccc2c(=O)cc(OC(=O)O)[nH]c2c1
InChIInChI=1S/C14H15NO4/c1-2-3-4-9-5-6-10-11(7-9)15-13(8-12(10)16)19-14(17)18/h5-8H,2-4H2,1H3,(H,15,16)(H,17,18)
InChIKeyAEGKEYQCLBFXAH-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.93
Rot. Bonds4

About (7-butyl-4-oxo-1H-quinolin-2-yl) hydrogen carbonate

(7-butyl-4-oxo-1H-quinolin-2-yl) hydrogen carbonate (PubChem CID 67863263) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is (7-butyl-4-oxo-1H-quinolin-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(7-butyl-4-oxo-1H-quinolin-2-yl) hydrogen carbonate
PubChem CID67863263
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name(7-butyl-4-oxo-1H-quinolin-2-yl) hydrogen carbonate
SMILESCCCCc1ccc2c(=O)cc(OC(=O)O)[nH]c2c1
InChIInChI=1S/C14H15NO4/c1-2-3-4-9-5-6-10-11(7-9)15-13(8-12(10)16)19-14(17)18/h5-8H,2-4H2,1H3,(H,15,16)(H,17,18)
InChIKeyAEGKEYQCLBFXAH-UHFFFAOYSA-N
XLogP2.93
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-oxo-7-propyl-1H-quinolin-2-yl) hydrogen carbonate
CID 67862897
methyl 6-hexyl-4-oxo-1H-quinoline-2-carboxylate
CID 178121539
6-butyl-2-(methoxymethyl)-1H-quinolin-4-one
CID 55062157
2-dodecyl-9H-carbazole
CID 21248548
7-butyl-1H-quinolin-2-one
CID 119093138
(8-hydroxy-4-oxo-1H-quinolin-2-yl) hydrogen carbonate
CID 67177306
2-(4-butyl-2-methylphenyl)acetic acid
CID 154171970
(4-hexyl-2-phenylphenyl) hydrogen carbonate
CID 66629329
[4-(4-nonylphenyl)phenyl] hydrogen carbonate
CID 67830948
4-oxo-6-propyl-1H-quinoline-2-carboxylic acid
CID 63375917
6-hexyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 118577946
2-[7-(2-hydroxyethyl)-9H-carbazol-2-yl]ethanol
CID 67360001

Frequently Asked Questions

What is the IUPAC name of (7-butyl-4-oxo-1H-quinolin-2-yl) hydrogen carbonate?
The IUPAC name of (7-butyl-4-oxo-1H-quinolin-2-yl) hydrogen carbonate (CID 67863263) is (7-butyl-4-oxo-1H-quinolin-2-yl) hydrogen carbonate.
What is the SMILES notation for (7-butyl-4-oxo-1H-quinolin-2-yl) hydrogen carbonate?
The canonical SMILES for (7-butyl-4-oxo-1H-quinolin-2-yl) hydrogen carbonate is CCCCc1ccc2c(=O)cc(OC(=O)O)[nH]c2c1.
What is the InChIKey of (7-butyl-4-oxo-1H-quinolin-2-yl) hydrogen carbonate?
The InChIKey is AEGKEYQCLBFXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-2-3-4-9-5-6-10-11(7-9)15-13(8-12(10)16)19-14(17)18/h5-8H,2-4H2,1H3,(H,15,16)(H,17,18).
What are the key properties of (7-butyl-4-oxo-1H-quinolin-2-yl) hydrogen carbonate?
(7-butyl-4-oxo-1H-quinolin-2-yl) hydrogen carbonate has a molecular weight of 261.28 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-butyl-4-oxo-1H-quinolin-2-yl) hydrogen carbonate is sourced from PubChem (CID 67863263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).