10-chloro-4-methyl-[1,4]thiazino[3,2-b]quinolin-3-one

C12H9ClN2OS — CID 121001787

IUPAC10-chloro-4-methyl-[1,4]thiazino[3,2-b]quinolin-3-one
SMILESCN1C(=O)CSc2c1nc1ccccc1c2Cl
InChIInChI=1S/C12H9ClN2OS/c1-15-9(16)6-17-11-10(13)7-4-2-3-5-8(7)14-12(11)15/h2-5H,6H2,1H3
InChIKeyKBNFSPWYXCQCRC-UHFFFAOYSA-N
MW264.74 g/mol
LogP2.96
Rot. Bonds

About 10-chloro-4-methyl-[1,4]thiazino[3,2-b]quinolin-3-one

10-chloro-4-methyl-[1,4]thiazino[3,2-b]quinolin-3-one (PubChem CID 121001787) has the molecular formula C12H9ClN2OS and a molecular weight of 264.74 g/mol. Its IUPAC name is 10-chloro-4-methyl-[1,4]thiazino[3,2-b]quinolin-3-one.

Molecular Properties

Compound Name10-chloro-4-methyl-[1,4]thiazino[3,2-b]quinolin-3-one
PubChem CID121001787
Molecular FormulaC12H9ClN2OS
Molecular Weight264.74 g/mol
Exact Mass264.01
IUPAC Name10-chloro-4-methyl-[1,4]thiazino[3,2-b]quinolin-3-one
SMILESCN1C(=O)CSc2c1nc1ccccc1c2Cl
InChIInChI=1S/C12H9ClN2OS/c1-15-9(16)6-17-11-10(13)7-4-2-3-5-8(7)14-12(11)15/h2-5H,6H2,1H3
InChIKeyKBNFSPWYXCQCRC-UHFFFAOYSA-N
XLogP2.96
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloroacridin-9-yl)-1,3-thiazolidine-2,4-dione
CID 11121021
4-methyl-2,3-dihydro-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one
CID 12577138
3,4-dichloro-2-methylquinoline;platinum
CID 159361617
9-methyl-6-thia-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(17),10(18),11,13,15-pentaen-8-one
CID 54329643
2-tert-butyl-9-chloroacridine
CID 620349
3-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazolidine-2,4-dione
CID 135747657
N-tert-butyl-4-chloro-3-phenylquinolin-2-amine
CID 72701186
1-tert-butyl-4-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 132532119
3-methylidene-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 1479805
4-(2-chloroquinazolin-4-yl)piperazine-2,6-dione
CID 66063785
4-chloro-1-(2-chloroquinazolin-4-yl)pyrrolidin-2-one
CID 168689948
10-chloro-6-piperazin-1-ylthiochromeno[2,3-c]quinolin-12-one
CID 90646534

Frequently Asked Questions

What is the IUPAC name of 10-chloro-4-methyl-[1,4]thiazino[3,2-b]quinolin-3-one?
The IUPAC name of 10-chloro-4-methyl-[1,4]thiazino[3,2-b]quinolin-3-one (CID 121001787) is 10-chloro-4-methyl-[1,4]thiazino[3,2-b]quinolin-3-one.
What is the SMILES notation for 10-chloro-4-methyl-[1,4]thiazino[3,2-b]quinolin-3-one?
The canonical SMILES for 10-chloro-4-methyl-[1,4]thiazino[3,2-b]quinolin-3-one is CN1C(=O)CSc2c1nc1ccccc1c2Cl.
What is the InChIKey of 10-chloro-4-methyl-[1,4]thiazino[3,2-b]quinolin-3-one?
The InChIKey is KBNFSPWYXCQCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2OS/c1-15-9(16)6-17-11-10(13)7-4-2-3-5-8(7)14-12(11)15/h2-5H,6H2,1H3.
What are the key properties of 10-chloro-4-methyl-[1,4]thiazino[3,2-b]quinolin-3-one?
10-chloro-4-methyl-[1,4]thiazino[3,2-b]quinolin-3-one has a molecular weight of 264.74 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-4-methyl-[1,4]thiazino[3,2-b]quinolin-3-one is sourced from PubChem (CID 121001787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).