9-chloro-3-ethyl-1,2-dimethyl-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one

C15H17ClN2O — CID 15979936

IUPAC9-chloro-3-ethyl-1,2-dimethyl-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one
SMILESCCN1c2ccc3[nH]c(=O)cc(Cl)c3c2C(C)C1C
InChIInChI=1S/C15H17ClN2O/c1-4-18-9(3)8(2)14-12(18)6-5-11-15(14)10(16)7-13(19)17-11/h5-9H,4H2,1-3H3,(H,17,19)
InChIKeySGTQONRHEPMHIW-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.51
Rot. Bonds1

About 9-chloro-3-ethyl-1,2-dimethyl-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one

9-chloro-3-ethyl-1,2-dimethyl-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one (PubChem CID 15979936) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 9-chloro-3-ethyl-1,2-dimethyl-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one.

Molecular Properties

Compound Name9-chloro-3-ethyl-1,2-dimethyl-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one
PubChem CID15979936
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name9-chloro-3-ethyl-1,2-dimethyl-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one
SMILESCCN1c2ccc3[nH]c(=O)cc(Cl)c3c2C(C)C1C
InChIInChI=1S/C15H17ClN2O/c1-4-18-9(3)8(2)14-12(18)6-5-11-15(14)10(16)7-13(19)17-11/h5-9H,4H2,1-3H3,(H,17,19)
InChIKeySGTQONRHEPMHIW-UHFFFAOYSA-N
XLogP3.51
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-3-ethyl-1,2-dimethyl-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one?
The IUPAC name of 9-chloro-3-ethyl-1,2-dimethyl-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one (CID 15979936) is 9-chloro-3-ethyl-1,2-dimethyl-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one.
What is the SMILES notation for 9-chloro-3-ethyl-1,2-dimethyl-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one?
The canonical SMILES for 9-chloro-3-ethyl-1,2-dimethyl-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one is CCN1c2ccc3[nH]c(=O)cc(Cl)c3c2C(C)C1C.
What is the InChIKey of 9-chloro-3-ethyl-1,2-dimethyl-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one?
The InChIKey is SGTQONRHEPMHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-4-18-9(3)8(2)14-12(18)6-5-11-15(14)10(16)7-13(19)17-11/h5-9H,4H2,1-3H3,(H,17,19).
What are the key properties of 9-chloro-3-ethyl-1,2-dimethyl-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one?
9-chloro-3-ethyl-1,2-dimethyl-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one has a molecular weight of 276.77 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-3-ethyl-1,2-dimethyl-2,6-dihydro-1H-pyrrolo[3,2-f]quinolin-7-one is sourced from PubChem (CID 15979936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).