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

C18H14ClN3O3 — CID 122637378

IUPAC5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2ccc(NCc3cc4cc(Cl)ccc4[nH]c3=O)cc21
InChIInChI=1S/C18H14ClN3O3/c1-22-15-8-13(3-5-16(15)25-18(22)24)20-9-11-6-10-7-12(19)2-4-14(10)21-17(11)23/h2-8,20H,9H2,1H3,(H,21,23)
InChIKeyWQLJTPQQDDWBQO-UHFFFAOYSA-N
MW355.78 g/mol
LogP3.24
Rot. Bonds3

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

5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 122637378) has the molecular formula C18H14ClN3O3 and a molecular weight of 355.78 g/mol. Its IUPAC name is 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methyl-1,3-benzoxazol-2-one
PubChem CID122637378
Molecular FormulaC18H14ClN3O3
Molecular Weight355.78 g/mol
Exact Mass355.07
IUPAC Name5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2ccc(NCc3cc4cc(Cl)ccc4[nH]c3=O)cc21
InChIInChI=1S/C18H14ClN3O3/c1-22-15-8-13(3-5-16(15)25-18(22)24)20-9-11-6-10-7-12(19)2-4-14(10)21-17(11)23/h2-8,20H,9H2,1H3,(H,21,23)
InChIKeyWQLJTPQQDDWBQO-UHFFFAOYSA-N
XLogP3.24
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3H-1,3-benzoxazol-2-one
CID 122637274
3-[(1,2,3-benzoxadiazol-6-ylamino)methyl]-6-chloro-1H-quinolin-2-one
CID 122637212
6-chloro-3-[[(1-methylpyrazolo[3,4-b]pyridin-5-yl)amino]methyl]-1H-quinolin-2-one
CID 122637430
3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318659
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-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110608005
6-chloro-3-[[(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)amino]methyl]-1H-quinolin-2-one
CID 122637234
6-chloro-3-[[[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]amino]methyl]-1H-quinolin-2-one
CID 118955448
6-chloro-3-[[(4-methoxy-1-benzofuran-6-yl)amino]methyl]-1H-quinolin-2-one
CID 122637181
6-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-5-fluoro-3H-1,3-benzoxazol-2-one
CID 122637449
6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one
CID 118955702

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methyl-1,3-benzoxazol-2-one (CID 122637378) is 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2ccc(NCc3cc4cc(Cl)ccc4[nH]c3=O)cc21.
What is the InChIKey of 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is WQLJTPQQDDWBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3/c1-22-15-8-13(3-5-16(15)25-18(22)24)20-9-11-6-10-7-12(19)2-4-14(10)21-17(11)23/h2-8,20H,9H2,1H3,(H,21,23).
What are the key properties of 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methyl-1,3-benzoxazol-2-one?
5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 355.78 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 122637378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).