7-chloro-2-(4-methylpiperazin-1-yl)-4H-1,3-benzoxazine

C13H16ClN3O — CID 70590951

IUPAC7-chloro-2-(4-methylpiperazin-1-yl)-4H-1,3-benzoxazine
SMILESCN1CCN(C2=NCc3ccc(Cl)cc3O2)CC1
InChIInChI=1S/C13H16ClN3O/c1-16-4-6-17(7-5-16)13-15-9-10-2-3-11(14)8-12(10)18-13/h2-3,8H,4-7,9H2,1H3
InChIKeyUYBINUSVPNLYNK-UHFFFAOYSA-N
MW265.74 g/mol
LogP1.84
Rot. Bonds

About 7-chloro-2-(4-methylpiperazin-1-yl)-4H-1,3-benzoxazine

7-chloro-2-(4-methylpiperazin-1-yl)-4H-1,3-benzoxazine (PubChem CID 70590951) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 7-chloro-2-(4-methylpiperazin-1-yl)-4H-1,3-benzoxazine.

Molecular Properties

Compound Name7-chloro-2-(4-methylpiperazin-1-yl)-4H-1,3-benzoxazine
PubChem CID70590951
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name7-chloro-2-(4-methylpiperazin-1-yl)-4H-1,3-benzoxazine
SMILESCN1CCN(C2=NCc3ccc(Cl)cc3O2)CC1
InChIInChI=1S/C13H16ClN3O/c1-16-4-6-17(7-5-16)13-15-9-10-2-3-11(14)8-12(10)18-13/h2-3,8H,4-7,9H2,1H3
InChIKeyUYBINUSVPNLYNK-UHFFFAOYSA-N
XLogP1.84
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromomorpholin-4-yl)-7-chloro-4H-1,3-benzoxazine
CID 70590786
7-chloro-N,N-dimethyl-4H-1,3-benzoxazin-2-amine;hydrobromide
CID 23349429
7-chloro-2-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzoxazepine
CID 10904166
8-chloro-2-methoxy-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 46885298
8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 3934857
1-[5-(2,4-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-4-methylpiperazine;hydrochloride
CID 70620008
5-chloro-2-(4-methylpiperazin-1-yl)benzoic acid
CID 12784710
4-chloro-2-(4-methyl-1,4-diazepan-1-yl)aniline
CID 115468464
1-(8-chloro-4-phenyl-2,3-dihydro-1-benzoxepin-5-yl)-4-methylpiperazine
CID 91824384
8-chloro-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidine
CID 11682208
1-[5-chloro-2-(furan-2-yl)phenyl]-4-methylpiperazine
CID 173148061
5-chloro-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 116807852

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-methylpiperazin-1-yl)-4H-1,3-benzoxazine?
The IUPAC name of 7-chloro-2-(4-methylpiperazin-1-yl)-4H-1,3-benzoxazine (CID 70590951) is 7-chloro-2-(4-methylpiperazin-1-yl)-4H-1,3-benzoxazine.
What is the SMILES notation for 7-chloro-2-(4-methylpiperazin-1-yl)-4H-1,3-benzoxazine?
The canonical SMILES for 7-chloro-2-(4-methylpiperazin-1-yl)-4H-1,3-benzoxazine is CN1CCN(C2=NCc3ccc(Cl)cc3O2)CC1.
What is the InChIKey of 7-chloro-2-(4-methylpiperazin-1-yl)-4H-1,3-benzoxazine?
The InChIKey is UYBINUSVPNLYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-16-4-6-17(7-5-16)13-15-9-10-2-3-11(14)8-12(10)18-13/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 7-chloro-2-(4-methylpiperazin-1-yl)-4H-1,3-benzoxazine?
7-chloro-2-(4-methylpiperazin-1-yl)-4H-1,3-benzoxazine has a molecular weight of 265.74 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-methylpiperazin-1-yl)-4H-1,3-benzoxazine is sourced from PubChem (CID 70590951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).