3-[(1,2,3-benzoxadiazol-6-ylamino)methyl]-6-chloro-1H-quinolin-2-one

C16H11ClN4O2 — CID 122637212

IUPAC3-[(1,2,3-benzoxadiazol-6-ylamino)methyl]-6-chloro-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2cc1CNc1ccc2nnoc2c1
InChIInChI=1S/C16H11ClN4O2/c17-11-1-3-13-9(6-11)5-10(16(22)19-13)8-18-12-2-4-14-15(7-12)23-21-20-14/h1-7,18H,8H2,(H,19,22)
InChIKeyCXJSRTCOKXIZPZ-UHFFFAOYSA-N
MW326.74 g/mol
LogP3.33
Rot. Bonds3

About 3-[(1,2,3-benzoxadiazol-6-ylamino)methyl]-6-chloro-1H-quinolin-2-one

3-[(1,2,3-benzoxadiazol-6-ylamino)methyl]-6-chloro-1H-quinolin-2-one (PubChem CID 122637212) has the molecular formula C16H11ClN4O2 and a molecular weight of 326.74 g/mol. Its IUPAC name is 3-[(1,2,3-benzoxadiazol-6-ylamino)methyl]-6-chloro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(1,2,3-benzoxadiazol-6-ylamino)methyl]-6-chloro-1H-quinolin-2-one
PubChem CID122637212
Molecular FormulaC16H11ClN4O2
Molecular Weight326.74 g/mol
Exact Mass326.06
IUPAC Name3-[(1,2,3-benzoxadiazol-6-ylamino)methyl]-6-chloro-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2cc1CNc1ccc2nnoc2c1
InChIInChI=1S/C16H11ClN4O2/c17-11-1-3-13-9(6-11)5-10(16(22)19-13)8-18-12-2-4-14-15(7-12)23-21-20-14/h1-7,18H,8H2,(H,19,22)
InChIKeyCXJSRTCOKXIZPZ-UHFFFAOYSA-N
XLogP3.33
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one
CID 122637226
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 122637274
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 122637378
6-chloro-3-[[(3-oxo-1H-2-benzofuran-5-yl)amino]methyl]-1H-quinolin-2-one
CID 122637068
3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318659
6-chloro-3-[[(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)amino]methyl]-1H-quinolin-2-one
CID 122637234
6-chloro-3-[[(4-methoxy-1-benzofuran-6-yl)amino]methyl]-1H-quinolin-2-one
CID 122637181
6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one
CID 122637430
6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one
CID 118955702
6-chloro-3-[(1,6-naphthyridin-2-ylamino)methyl]-1H-quinolin-2-one
CID 122637271
6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one
CID 122637449
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-6-oxo-1H-pyridine-2-carbonitrile
CID 118955458

Frequently Asked Questions

What is the IUPAC name of 3-[(1,2,3-benzoxadiazol-6-ylamino)methyl]-6-chloro-1H-quinolin-2-one?
The IUPAC name of 3-[(1,2,3-benzoxadiazol-6-ylamino)methyl]-6-chloro-1H-quinolin-2-one (CID 122637212) is 3-[(1,2,3-benzoxadiazol-6-ylamino)methyl]-6-chloro-1H-quinolin-2-one.
What is the SMILES notation for 3-[(1,2,3-benzoxadiazol-6-ylamino)methyl]-6-chloro-1H-quinolin-2-one?
The canonical SMILES for 3-[(1,2,3-benzoxadiazol-6-ylamino)methyl]-6-chloro-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2cc1CNc1ccc2nnoc2c1.
What is the InChIKey of 3-[(1,2,3-benzoxadiazol-6-ylamino)methyl]-6-chloro-1H-quinolin-2-one?
The InChIKey is CXJSRTCOKXIZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O2/c17-11-1-3-13-9(6-11)5-10(16(22)19-13)8-18-12-2-4-14-15(7-12)23-21-20-14/h1-7,18H,8H2,(H,19,22).
What are the key properties of 3-[(1,2,3-benzoxadiazol-6-ylamino)methyl]-6-chloro-1H-quinolin-2-one?
3-[(1,2,3-benzoxadiazol-6-ylamino)methyl]-6-chloro-1H-quinolin-2-one has a molecular weight of 326.74 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,2,3-benzoxadiazol-6-ylamino)methyl]-6-chloro-1H-quinolin-2-one is sourced from PubChem (CID 122637212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).