N-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]quinoxaline-2-carboxamide

C20H18ClN3O3 — CID 94645848

IUPACN-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]quinoxaline-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1cnc2ccccc2n1
InChIInChI=1S/C20H18ClN3O3/c21-13-7-8-19(27-12-14-4-3-9-26-14)17(10-13)24-20(25)18-11-22-15-5-1-2-6-16(15)23-18/h1-2,5-8,10-11,14H,3-4,9,12H2,(H,24,25)/t14-/m0/s1
InChIKeyMCJIBJJJKHGPHI-AWEZNQCLSA-N
MW383.84 g/mol
LogP4.09
Rot. Bonds5

About N-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]quinoxaline-2-carboxamide

N-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]quinoxaline-2-carboxamide (PubChem CID 94645848) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]quinoxaline-2-carboxamide
PubChem CID94645848
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]quinoxaline-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1cnc2ccccc2n1
InChIInChI=1S/C20H18ClN3O3/c21-13-7-8-19(27-12-14-4-3-9-26-14)17(10-13)24-20(25)18-11-22-15-5-1-2-6-16(15)23-18/h1-2,5-8,10-11,14H,3-4,9,12H2,(H,24,25)/t14-/m0/s1
InChIKeyMCJIBJJJKHGPHI-AWEZNQCLSA-N
XLogP4.09
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2,6-dicarboxamide
CID 102561239
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-6-pyrazol-1-ylpyrazine-2-carboxamide
CID 166285191
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
N-[5-chloro-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-2-nitrobenzamide
CID 40771307
3-amino-N-[5-chloro-2-[[(2R)-oxan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
CID 99823794
2-[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976807
5-fluoro-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2-carboxamide
CID 126794671
1-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-hydroxyethyl)urea
CID 95265922
4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119300240
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 60576266
3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 120609593
3-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119743204

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]quinoxaline-2-carboxamide (CID 94645848) is N-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]quinoxaline-2-carboxamide is O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1cnc2ccccc2n1.
What is the InChIKey of N-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]quinoxaline-2-carboxamide?
The InChIKey is MCJIBJJJKHGPHI-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c21-13-7-8-19(27-12-14-4-3-9-26-14)17(10-13)24-20(25)18-11-22-15-5-1-2-6-16(15)23-18/h1-2,5-8,10-11,14H,3-4,9,12H2,(H,24,25)/t14-/m0/s1.
What are the key properties of N-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]quinoxaline-2-carboxamide?
N-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]quinoxaline-2-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 94645848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).