7-[dimethylamino-(2-methyl-1H-indol-3-yl)methyl]quinolin-8-ol

C21H21N3O — CID 110453423

IUPAC7-[dimethylamino-(2-methyl-1H-indol-3-yl)methyl]quinolin-8-ol
SMILESCc1[nH]c2ccccc2c1C(c1ccc2cccnc2c1O)N(C)C
InChIInChI=1S/C21H21N3O/c1-13-18(15-8-4-5-9-17(15)23-13)20(24(2)3)16-11-10-14-7-6-12-22-19(14)21(16)25/h4-12,20,23,25H,1-3H3
InChIKeyIXLNIHDRJHZCBW-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.38
Rot. Bonds3

About 7-[dimethylamino-(2-methyl-1H-indol-3-yl)methyl]quinolin-8-ol

7-[dimethylamino-(2-methyl-1H-indol-3-yl)methyl]quinolin-8-ol (PubChem CID 110453423) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 7-[dimethylamino-(2-methyl-1H-indol-3-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[dimethylamino-(2-methyl-1H-indol-3-yl)methyl]quinolin-8-ol
PubChem CID110453423
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name7-[dimethylamino-(2-methyl-1H-indol-3-yl)methyl]quinolin-8-ol
SMILESCc1[nH]c2ccccc2c1C(c1ccc2cccnc2c1O)N(C)C
InChIInChI=1S/C21H21N3O/c1-13-18(15-8-4-5-9-17(15)23-13)20(24(2)3)16-11-10-14-7-6-12-22-19(14)21(16)25/h4-12,20,23,25H,1-3H3
InChIKeyIXLNIHDRJHZCBW-UHFFFAOYSA-N
XLogP4.38
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[dimethylamino-(2-methyl-1H-indol-3-yl)methyl]quinolin-8-ol?
The IUPAC name of 7-[dimethylamino-(2-methyl-1H-indol-3-yl)methyl]quinolin-8-ol (CID 110453423) is 7-[dimethylamino-(2-methyl-1H-indol-3-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[dimethylamino-(2-methyl-1H-indol-3-yl)methyl]quinolin-8-ol?
The canonical SMILES for 7-[dimethylamino-(2-methyl-1H-indol-3-yl)methyl]quinolin-8-ol is Cc1[nH]c2ccccc2c1C(c1ccc2cccnc2c1O)N(C)C.
What is the InChIKey of 7-[dimethylamino-(2-methyl-1H-indol-3-yl)methyl]quinolin-8-ol?
The InChIKey is IXLNIHDRJHZCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-13-18(15-8-4-5-9-17(15)23-13)20(24(2)3)16-11-10-14-7-6-12-22-19(14)21(16)25/h4-12,20,23,25H,1-3H3.
What are the key properties of 7-[dimethylamino-(2-methyl-1H-indol-3-yl)methyl]quinolin-8-ol?
7-[dimethylamino-(2-methyl-1H-indol-3-yl)methyl]quinolin-8-ol has a molecular weight of 331.42 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[dimethylamino-(2-methyl-1H-indol-3-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 110453423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).