6-methyl-1,2,3,9-tetrahydropyrrolo[2,3-b]quinolin-4-one;hydrochloride

C12H13ClN2O — CID 156697056

IUPAC6-methyl-1,2,3,9-tetrahydropyrrolo[2,3-b]quinolin-4-one;hydrochloride
SMILESCc1ccc2[nH]c3c(c(=O)c2c1)CCN3.Cl
InChIInChI=1S/C12H12N2O.ClH/c1-7-2-3-10-9(6-7)11(15)8-4-5-13-12(8)14-10;/h2-3,6H,4-5H2,1H3,(H2,13,14,15);1H
InChIKeyOMBLIMCQTQJZMI-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.23
Rot. Bonds

About 6-methyl-1,2,3,9-tetrahydropyrrolo[2,3-b]quinolin-4-one;hydrochloride

6-methyl-1,2,3,9-tetrahydropyrrolo[2,3-b]quinolin-4-one;hydrochloride (PubChem CID 156697056) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 6-methyl-1,2,3,9-tetrahydropyrrolo[2,3-b]quinolin-4-one;hydrochloride.

Molecular Properties

Compound Name6-methyl-1,2,3,9-tetrahydropyrrolo[2,3-b]quinolin-4-one;hydrochloride
PubChem CID156697056
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name6-methyl-1,2,3,9-tetrahydropyrrolo[2,3-b]quinolin-4-one;hydrochloride
SMILESCc1ccc2[nH]c3c(c(=O)c2c1)CCN3.Cl
InChIInChI=1S/C12H12N2O.ClH/c1-7-2-3-10-9(6-7)11(15)8-4-5-13-12(8)14-10;/h2-3,6H,4-5H2,1H3,(H2,13,14,15);1H
InChIKeyOMBLIMCQTQJZMI-UHFFFAOYSA-N
XLogP2.23
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2,3,9-tetrahydropyrrolo[2,3-b]quinolin-4-one;hydrochloride?
The IUPAC name of 6-methyl-1,2,3,9-tetrahydropyrrolo[2,3-b]quinolin-4-one;hydrochloride (CID 156697056) is 6-methyl-1,2,3,9-tetrahydropyrrolo[2,3-b]quinolin-4-one;hydrochloride.
What is the SMILES notation for 6-methyl-1,2,3,9-tetrahydropyrrolo[2,3-b]quinolin-4-one;hydrochloride?
The canonical SMILES for 6-methyl-1,2,3,9-tetrahydropyrrolo[2,3-b]quinolin-4-one;hydrochloride is Cc1ccc2[nH]c3c(c(=O)c2c1)CCN3.Cl.
What is the InChIKey of 6-methyl-1,2,3,9-tetrahydropyrrolo[2,3-b]quinolin-4-one;hydrochloride?
The InChIKey is OMBLIMCQTQJZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.ClH/c1-7-2-3-10-9(6-7)11(15)8-4-5-13-12(8)14-10;/h2-3,6H,4-5H2,1H3,(H2,13,14,15);1H.
What are the key properties of 6-methyl-1,2,3,9-tetrahydropyrrolo[2,3-b]quinolin-4-one;hydrochloride?
6-methyl-1,2,3,9-tetrahydropyrrolo[2,3-b]quinolin-4-one;hydrochloride has a molecular weight of 236.70 g/mol, XLogP of 2.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,3,9-tetrahydropyrrolo[2,3-b]quinolin-4-one;hydrochloride is sourced from PubChem (CID 156697056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).