9-chloro-5-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]quinoline

C17H19ClN2O2 — CID 23826903

IUPAC9-chloro-5-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]quinoline
SMILESCc1nc2ccc(Cl)cc2c2c1CN(CC1CCCO1)CO2
InChIInChI=1S/C17H19ClN2O2/c1-11-15-9-20(8-13-3-2-6-21-13)10-22-17(15)14-7-12(18)4-5-16(14)19-11/h4-5,7,13H,2-3,6,8-10H2,1H3
InChIKeyXEVIMZRLMIKARL-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.53
Rot. Bonds2

About 9-chloro-5-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]quinoline

9-chloro-5-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]quinoline (PubChem CID 23826903) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 9-chloro-5-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]quinoline.

Molecular Properties

Compound Name9-chloro-5-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]quinoline
PubChem CID23826903
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name9-chloro-5-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]quinoline
SMILESCc1nc2ccc(Cl)cc2c2c1CN(CC1CCCO1)CO2
InChIInChI=1S/C17H19ClN2O2/c1-11-15-9-20(8-13-3-2-6-21-13)10-22-17(15)14-7-12(18)4-5-16(14)19-11/h4-5,7,13H,2-3,6,8-10H2,1H3
InChIKeyXEVIMZRLMIKARL-UHFFFAOYSA-N
XLogP3.53
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-5-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]quinoline?
The IUPAC name of 9-chloro-5-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]quinoline (CID 23826903) is 9-chloro-5-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]quinoline.
What is the SMILES notation for 9-chloro-5-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]quinoline?
The canonical SMILES for 9-chloro-5-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]quinoline is Cc1nc2ccc(Cl)cc2c2c1CN(CC1CCCO1)CO2.
What is the InChIKey of 9-chloro-5-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]quinoline?
The InChIKey is XEVIMZRLMIKARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-11-15-9-20(8-13-3-2-6-21-13)10-22-17(15)14-7-12(18)4-5-16(14)19-11/h4-5,7,13H,2-3,6,8-10H2,1H3.
What are the key properties of 9-chloro-5-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]quinoline?
9-chloro-5-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]quinoline has a molecular weight of 318.80 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-5-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]quinoline is sourced from PubChem (CID 23826903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).