8-chloro-7-fluoro-2-methyl-4-(4-methylazocan-1-yl)-[1,3]oxazolo[4,5-c]quinoline

C19H21ClFN3O — CID 123543134

IUPAC8-chloro-7-fluoro-2-methyl-4-(4-methylazocan-1-yl)-[1,3]oxazolo[4,5-c]quinoline
SMILESCc1nc2c(N3CCCCC(C)CC3)nc3cc(F)c(Cl)cc3c2o1
InChIInChI=1S/C19H21ClFN3O/c1-11-5-3-4-7-24(8-6-11)19-17-18(25-12(2)22-17)13-9-14(20)15(21)10-16(13)23-19/h9-11H,3-8H2,1-2H3
InChIKeyXCZYMSVTXXIISY-UHFFFAOYSA-N
MW361.85 g/mol
LogP5.49
Rot. Bonds1

About 8-chloro-7-fluoro-2-methyl-4-(4-methylazocan-1-yl)-[1,3]oxazolo[4,5-c]quinoline

8-chloro-7-fluoro-2-methyl-4-(4-methylazocan-1-yl)-[1,3]oxazolo[4,5-c]quinoline (PubChem CID 123543134) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is 8-chloro-7-fluoro-2-methyl-4-(4-methylazocan-1-yl)-[1,3]oxazolo[4,5-c]quinoline.

Molecular Properties

Compound Name8-chloro-7-fluoro-2-methyl-4-(4-methylazocan-1-yl)-[1,3]oxazolo[4,5-c]quinoline
PubChem CID123543134
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC Name8-chloro-7-fluoro-2-methyl-4-(4-methylazocan-1-yl)-[1,3]oxazolo[4,5-c]quinoline
SMILESCc1nc2c(N3CCCCC(C)CC3)nc3cc(F)c(Cl)cc3c2o1
InChIInChI=1S/C19H21ClFN3O/c1-11-5-3-4-7-24(8-6-11)19-17-18(25-12(2)22-17)13-9-14(20)15(21)10-16(13)23-19/h9-11H,3-8H2,1-2H3
InChIKeyXCZYMSVTXXIISY-UHFFFAOYSA-N
XLogP5.49
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.85
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-chloro-7-fluoro-2-methyl-4-(4-methylazocan-1-yl)-[1,3]oxazolo[4,5-c]quinoline with MolForge

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Related Compounds

[2-(3-Chloro-benzyl)-6-methyl-oxazolo[4,5-c]pyridin-4-yl]-(2-piperidin-2-yl-ethyl)-amine
CID 10340020
[2-(3-Chloro-benzyl)-6-methyl-oxazolo[4,5-c]pyridin-4-yl]-(2,2-difluoro-2-pyridin-2-yl-ethyl)-amine
CID 10387118
2-(3-Chlorophenyl)-5-piperidin-1-yl-[1,3]oxazolo[5,4-b]pyridine
CID 71256270
2-Butyl[1,3]oxazolo[4,5-C]quinolin-4-Amine
CID 10421816
4-(3-fluorophenyl)-N-pentyl-oxazolo[4,5-c]quinolin-2-amine
CID 45277576
4-(4-fluorophenyl)-N-pentyl-oxazolo[4,5-c]quinolin-2-amine
CID 45277738
N-(3-chlorophenyl)-4-(4-fluorophenyl)oxazolo[4,5-c]quinolin-2-amine
CID 45277739
2-cyclohexyl-N-(3,4-dichlorophenyl)-[1,3]oxazolo[4,5-c]quinolin-4-amine
CID 177647154
N-benzyl-2-(3-chlorophenyl)-N-methyl-[1,3]oxazolo[5,4-b]pyridin-5-amine
CID 71256298
7-Fluoro-2-propyl-[1,3]oxazolo[4,5-c]quinolin-4-amine
CID 9859664
8-Bromo-7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline
CID 58475298
7-Fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline-8-carbonitrile
CID 58475321

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-fluoro-2-methyl-4-(4-methylazocan-1-yl)-[1,3]oxazolo[4,5-c]quinoline?
The IUPAC name of 8-chloro-7-fluoro-2-methyl-4-(4-methylazocan-1-yl)-[1,3]oxazolo[4,5-c]quinoline (CID 123543134) is 8-chloro-7-fluoro-2-methyl-4-(4-methylazocan-1-yl)-[1,3]oxazolo[4,5-c]quinoline.
What is the SMILES notation for 8-chloro-7-fluoro-2-methyl-4-(4-methylazocan-1-yl)-[1,3]oxazolo[4,5-c]quinoline?
The canonical SMILES for 8-chloro-7-fluoro-2-methyl-4-(4-methylazocan-1-yl)-[1,3]oxazolo[4,5-c]quinoline is Cc1nc2c(N3CCCCC(C)CC3)nc3cc(F)c(Cl)cc3c2o1.
What is the InChIKey of 8-chloro-7-fluoro-2-methyl-4-(4-methylazocan-1-yl)-[1,3]oxazolo[4,5-c]quinoline?
The InChIKey is XCZYMSVTXXIISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O/c1-11-5-3-4-7-24(8-6-11)19-17-18(25-12(2)22-17)13-9-14(20)15(21)10-16(13)23-19/h9-11H,3-8H2,1-2H3.
What are the key properties of 8-chloro-7-fluoro-2-methyl-4-(4-methylazocan-1-yl)-[1,3]oxazolo[4,5-c]quinoline?
8-chloro-7-fluoro-2-methyl-4-(4-methylazocan-1-yl)-[1,3]oxazolo[4,5-c]quinoline has a molecular weight of 361.85 g/mol, XLogP of 5.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-fluoro-2-methyl-4-(4-methylazocan-1-yl)-[1,3]oxazolo[4,5-c]quinoline is sourced from PubChem (CID 123543134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).