(1-cyclopropyl-4-oxo-7-piperazin-1-ylquinolin-3-yl) hydrogen carbonate

C17H19N3O4 — CID 70447645

IUPAC(1-cyclopropyl-4-oxo-7-piperazin-1-ylquinolin-3-yl) hydrogen carbonate
SMILESO=C(O)Oc1cn(C2CC2)c2cc(N3CCNCC3)ccc2c1=O
InChIInChI=1S/C17H19N3O4/c21-16-13-4-3-12(19-7-5-18-6-8-19)9-14(13)20(11-1-2-11)10-15(16)24-17(22)23/h3-4,9-11,18H,1-2,5-8H2,(H,22,23)
InChIKeyMOLKDPDHIZFORL-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.80
Rot. Bonds3

About (1-cyclopropyl-4-oxo-7-piperazin-1-ylquinolin-3-yl) hydrogen carbonate

(1-cyclopropyl-4-oxo-7-piperazin-1-ylquinolin-3-yl) hydrogen carbonate (PubChem CID 70447645) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is (1-cyclopropyl-4-oxo-7-piperazin-1-ylquinolin-3-yl) hydrogen carbonate.

Molecular Properties

Compound Name(1-cyclopropyl-4-oxo-7-piperazin-1-ylquinolin-3-yl) hydrogen carbonate
PubChem CID70447645
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name(1-cyclopropyl-4-oxo-7-piperazin-1-ylquinolin-3-yl) hydrogen carbonate
SMILESO=C(O)Oc1cn(C2CC2)c2cc(N3CCNCC3)ccc2c1=O
InChIInChI=1S/C17H19N3O4/c21-16-13-4-3-12(19-7-5-18-6-8-19)9-14(13)20(11-1-2-11)10-15(16)24-17(22)23/h3-4,9-11,18H,1-2,5-8H2,(H,22,23)
InChIKeyMOLKDPDHIZFORL-UHFFFAOYSA-N
XLogP1.80
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-4-oxo-7-piperazin-1-ylquinolin-3-yl) hydrogen carbonate?
The IUPAC name of (1-cyclopropyl-4-oxo-7-piperazin-1-ylquinolin-3-yl) hydrogen carbonate (CID 70447645) is (1-cyclopropyl-4-oxo-7-piperazin-1-ylquinolin-3-yl) hydrogen carbonate.
What is the SMILES notation for (1-cyclopropyl-4-oxo-7-piperazin-1-ylquinolin-3-yl) hydrogen carbonate?
The canonical SMILES for (1-cyclopropyl-4-oxo-7-piperazin-1-ylquinolin-3-yl) hydrogen carbonate is O=C(O)Oc1cn(C2CC2)c2cc(N3CCNCC3)ccc2c1=O.
What is the InChIKey of (1-cyclopropyl-4-oxo-7-piperazin-1-ylquinolin-3-yl) hydrogen carbonate?
The InChIKey is MOLKDPDHIZFORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c21-16-13-4-3-12(19-7-5-18-6-8-19)9-14(13)20(11-1-2-11)10-15(16)24-17(22)23/h3-4,9-11,18H,1-2,5-8H2,(H,22,23).
What are the key properties of (1-cyclopropyl-4-oxo-7-piperazin-1-ylquinolin-3-yl) hydrogen carbonate?
(1-cyclopropyl-4-oxo-7-piperazin-1-ylquinolin-3-yl) hydrogen carbonate has a molecular weight of 329.36 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-4-oxo-7-piperazin-1-ylquinolin-3-yl) hydrogen carbonate is sourced from PubChem (CID 70447645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).