(7-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-3-yl) hydrogen carbonate

C14H12ClNO4 — CID 70473106

IUPAC(7-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-3-yl) hydrogen carbonate
SMILESCc1c(Cl)ccc2c(=O)c(OC(=O)O)cn(C3CC3)c12
InChIInChI=1S/C14H12ClNO4/c1-7-10(15)5-4-9-12(7)16(8-2-3-8)6-11(13(9)17)20-14(18)19/h4-6,8H,2-3H2,1H3,(H,18,19)
InChIKeyGEILCTJFAMOUID-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.36
Rot. Bonds2

About (7-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-3-yl) hydrogen carbonate

(7-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-3-yl) hydrogen carbonate (PubChem CID 70473106) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is (7-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-3-yl) hydrogen carbonate.

Molecular Properties

Compound Name(7-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-3-yl) hydrogen carbonate
PubChem CID70473106
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name(7-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-3-yl) hydrogen carbonate
SMILESCc1c(Cl)ccc2c(=O)c(OC(=O)O)cn(C3CC3)c12
InChIInChI=1S/C14H12ClNO4/c1-7-10(15)5-4-9-12(7)16(8-2-3-8)6-11(13(9)17)20-14(18)19/h4-6,8H,2-3H2,1H3,(H,18,19)
InChIKeyGEILCTJFAMOUID-UHFFFAOYSA-N
XLogP3.36
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-chloro-1-cyclopropyl-8-fluoro-7-hydrazinyl-4-oxoquinolin-3-yl) hydrogen carbonate
CID 70462754
(7-amino-1-cyclopropyl-6,8-difluoro-4-oxoquinolin-3-yl) hydrogen carbonate
CID 70448131
(5-chloro-1-cyclopropyl-7,8-difluoro-4-oxoquinolin-3-yl) hydrogen carbonate
CID 67847636
[6-chloro-1-cyclopropyl-8-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] hydrogen carbonate
CID 70412082
(6-chloro-1-cyclopropyl-7-nitro-4-oxoquinolin-3-yl) hydrogen carbonate
CID 70458067
(1-cyclopropyl-7,8-difluoro-5-methyl-4-oxoquinolin-3-yl) hydrogen carbonate
CID 67847641
(7-chloro-1-ethyl-8-fluoro-4-oxoquinolin-3-yl) hydrogen carbonate
CID 67847624
[8-chloro-1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] hydrogen carbonate
CID 70382579
[8-chloro-1-cyclopropyl-6-fluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxoquinolin-3-yl] hydrogen carbonate
CID 70354136
(1-cyclopropyl-4-oxo-7-piperazin-1-ylquinolin-3-yl) hydrogen carbonate
CID 70447645
1-cyclopropyl-7-(4-hydroxypiperidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 10497488
[7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-8-chloro-1-cyclopropyl-4-oxo-1,6-naphthyridin-3-yl] hydrogen carbonate
CID 70207389

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-3-yl) hydrogen carbonate?
The IUPAC name of (7-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-3-yl) hydrogen carbonate (CID 70473106) is (7-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-3-yl) hydrogen carbonate.
What is the SMILES notation for (7-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-3-yl) hydrogen carbonate?
The canonical SMILES for (7-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-3-yl) hydrogen carbonate is Cc1c(Cl)ccc2c(=O)c(OC(=O)O)cn(C3CC3)c12.
What is the InChIKey of (7-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-3-yl) hydrogen carbonate?
The InChIKey is GEILCTJFAMOUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-7-10(15)5-4-9-12(7)16(8-2-3-8)6-11(13(9)17)20-14(18)19/h4-6,8H,2-3H2,1H3,(H,18,19).
What are the key properties of (7-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-3-yl) hydrogen carbonate?
(7-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-3-yl) hydrogen carbonate has a molecular weight of 293.71 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-3-yl) hydrogen carbonate is sourced from PubChem (CID 70473106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).