5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3H-1,3-benzoxazol-2-one

C17H12ClN3O3 — CID 122637274

IUPAC5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(NCc3cc4cc(Cl)ccc4[nH]c3=O)ccc2o1
InChIInChI=1S/C17H12ClN3O3/c18-11-1-3-13-9(6-11)5-10(16(22)20-13)8-19-12-2-4-15-14(7-12)21-17(23)24-15/h1-7,19H,8H2,(H,20,22)(H,21,23)
InChIKeyIZMZMGUSJJVYHV-UHFFFAOYSA-N
MW341.75 g/mol
LogP3.23
Rot. Bonds3

About 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3H-1,3-benzoxazol-2-one

5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3H-1,3-benzoxazol-2-one (PubChem CID 122637274) has the molecular formula C17H12ClN3O3 and a molecular weight of 341.75 g/mol. Its IUPAC name is 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3H-1,3-benzoxazol-2-one
PubChem CID122637274
Molecular FormulaC17H12ClN3O3
Molecular Weight341.75 g/mol
Exact Mass341.06
IUPAC Name5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(NCc3cc4cc(Cl)ccc4[nH]c3=O)ccc2o1
InChIInChI=1S/C17H12ClN3O3/c18-11-1-3-13-9(6-11)5-10(16(22)20-13)8-19-12-2-4-15-14(7-12)21-17(23)24-15/h1-7,19H,8H2,(H,20,22)(H,21,23)
InChIKeyIZMZMGUSJJVYHV-UHFFFAOYSA-N
XLogP3.23
TPSA90.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3H-1,3-benzoxazol-2-one with MolForge

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Launch Full Analysis

Related Compounds

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]-3-methyl-1,3-benzoxazol-2-one
CID 122637378
5-[(2-bromo-5-chlorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 66160922
3-[(1,2,3-benzoxadiazol-6-ylamino)methyl]-6-chloro-1H-quinolin-2-one
CID 122637212
6-chloro-3-[(1H-indazol-6-ylamino)methyl]-1H-quinolin-2-one
CID 122637226
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
5-[(2,5-dimethylfuran-3-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 99793336
6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one
CID 118955702
2-(2,4-dichlorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37091055
6-chloro-3-[[(4-methoxy-1-benzofuran-6-yl)amino]methyl]-1H-quinolin-2-one
CID 122637181

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3H-1,3-benzoxazol-2-one (CID 122637274) is 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(NCc3cc4cc(Cl)ccc4[nH]c3=O)ccc2o1.
What is the InChIKey of 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3H-1,3-benzoxazol-2-one?
The InChIKey is IZMZMGUSJJVYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O3/c18-11-1-3-13-9(6-11)5-10(16(22)20-13)8-19-12-2-4-15-14(7-12)21-17(23)24-15/h1-7,19H,8H2,(H,20,22)(H,21,23).
What are the key properties of 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3H-1,3-benzoxazol-2-one?
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3H-1,3-benzoxazol-2-one has a molecular weight of 341.75 g/mol, XLogP of 3.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 122637274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).