5-chloro-2,2-dimethyl-3H-furo[3,2-g]quinoline

C13H12ClNO — CID 125472909

IUPAC5-chloro-2,2-dimethyl-3H-furo[3,2-g]quinoline
SMILESCC1(C)Cc2cc3c(Cl)ccnc3cc2O1
InChIInChI=1S/C13H12ClNO/c1-13(2)7-8-5-9-10(14)3-4-15-11(9)6-12(8)16-13/h3-6H,7H2,1-2H3
InChIKeyORGHLNLTUSHUBE-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.60
Rot. Bonds

About 5-chloro-2,2-dimethyl-3H-furo[3,2-g]quinoline

5-chloro-2,2-dimethyl-3H-furo[3,2-g]quinoline (PubChem CID 125472909) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 5-chloro-2,2-dimethyl-3H-furo[3,2-g]quinoline.

Molecular Properties

Compound Name5-chloro-2,2-dimethyl-3H-furo[3,2-g]quinoline
PubChem CID125472909
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name5-chloro-2,2-dimethyl-3H-furo[3,2-g]quinoline
SMILESCC1(C)Cc2cc3c(Cl)ccnc3cc2O1
InChIInChI=1S/C13H12ClNO/c1-13(2)7-8-5-9-10(14)3-4-15-11(9)6-12(8)16-13/h3-6H,7H2,1-2H3
InChIKeyORGHLNLTUSHUBE-UHFFFAOYSA-N
XLogP3.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,2-dimethyl-3H-furo[3,2-g]quinoline?
The IUPAC name of 5-chloro-2,2-dimethyl-3H-furo[3,2-g]quinoline (CID 125472909) is 5-chloro-2,2-dimethyl-3H-furo[3,2-g]quinoline.
What is the SMILES notation for 5-chloro-2,2-dimethyl-3H-furo[3,2-g]quinoline?
The canonical SMILES for 5-chloro-2,2-dimethyl-3H-furo[3,2-g]quinoline is CC1(C)Cc2cc3c(Cl)ccnc3cc2O1.
What is the InChIKey of 5-chloro-2,2-dimethyl-3H-furo[3,2-g]quinoline?
The InChIKey is ORGHLNLTUSHUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-13(2)7-8-5-9-10(14)3-4-15-11(9)6-12(8)16-13/h3-6H,7H2,1-2H3.
What are the key properties of 5-chloro-2,2-dimethyl-3H-furo[3,2-g]quinoline?
5-chloro-2,2-dimethyl-3H-furo[3,2-g]quinoline has a molecular weight of 233.70 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,2-dimethyl-3H-furo[3,2-g]quinoline is sourced from PubChem (CID 125472909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).