6-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2H-chromene-3-carboxamide

C22H24ClN3O2 — CID 55441969

IUPAC6-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2H-chromene-3-carboxamide
SMILESCCN1CCN(c2ccccc2NC(=O)C2=Cc3cc(Cl)ccc3OC2)CC1
InChIInChI=1S/C22H24ClN3O2/c1-2-25-9-11-26(12-10-25)20-6-4-3-5-19(20)24-22(27)17-13-16-14-18(23)7-8-21(16)28-15-17/h3-8,13-14H,2,9-12,15H2,1H3,(H,24,27)
InChIKeyMXBZLLXLPGCLNV-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.90
Rot. Bonds4

About 6-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2H-chromene-3-carboxamide

6-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2H-chromene-3-carboxamide (PubChem CID 55441969) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2H-chromene-3-carboxamide
PubChem CID55441969
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name6-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2H-chromene-3-carboxamide
SMILESCCN1CCN(c2ccccc2NC(=O)C2=Cc3cc(Cl)ccc3OC2)CC1
InChIInChI=1S/C22H24ClN3O2/c1-2-25-9-11-26(12-10-25)20-6-4-3-5-19(20)24-22(27)17-13-16-14-18(23)7-8-21(16)28-15-17/h3-8,13-14H,2,9-12,15H2,1H3,(H,24,27)
InChIKeyMXBZLLXLPGCLNV-UHFFFAOYSA-N
XLogP3.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(2-ethylphenyl)-2H-chromene-3-carboxamide
CID 16652197
N-[2-(4-ethylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 46534125
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2H-chromene-3-carboxamide
CID 34193245
6-chloro-N-(2,5-difluorophenyl)-2H-chromene-3-carboxamide
CID 24517965
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate
CID 16652219
N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide
CID 7465015
5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
CID 120647841
2-bromo-N-[2-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 39737929
1-(3-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]pyrazole-3-carboxamide
CID 55925377
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate
CID 43408847
N-[4-[4-(3-acetamidophenyl)piperazin-1-yl]butyl]-6-chloro-2H-chromene-3-carboxamide
CID 59178321

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2H-chromene-3-carboxamide (CID 55441969) is 6-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2H-chromene-3-carboxamide is CCN1CCN(c2ccccc2NC(=O)C2=Cc3cc(Cl)ccc3OC2)CC1.
What is the InChIKey of 6-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2H-chromene-3-carboxamide?
The InChIKey is MXBZLLXLPGCLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-2-25-9-11-26(12-10-25)20-6-4-3-5-19(20)24-22(27)17-13-16-14-18(23)7-8-21(16)28-15-17/h3-8,13-14H,2,9-12,15H2,1H3,(H,24,27).
What are the key properties of 6-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2H-chromene-3-carboxamide?
6-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2H-chromene-3-carboxamide has a molecular weight of 397.91 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 55441969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).