2-[2-(4-hydroxyphenyl)ethylamino]-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;hydrochloride

C22H25ClN4O2 — CID 52994942

IUPAC2-[2-(4-hydroxyphenyl)ethylamino]-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;hydrochloride
SMILESCN1CCc2c1nc1ccccc1c2NC(=O)CNCCc1ccc(O)cc1.Cl
InChIInChI=1S/C22H24N4O2.ClH/c1-26-13-11-18-21(17-4-2-3-5-19(17)24-22(18)26)25-20(28)14-23-12-10-15-6-8-16(27)9-7-15;/h2-9,23,27H,10-14H2,1H3,(H,24,25,28);1H
InChIKeyCRXCNAIMJDMQPB-UHFFFAOYSA-N
MW412.92 g/mol
LogP3.13
Rot. Bonds6

About 2-[2-(4-hydroxyphenyl)ethylamino]-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;hydrochloride

2-[2-(4-hydroxyphenyl)ethylamino]-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;hydrochloride (PubChem CID 52994942) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)ethylamino]-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)ethylamino]-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;hydrochloride
PubChem CID52994942
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name2-[2-(4-hydroxyphenyl)ethylamino]-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;hydrochloride
SMILESCN1CCc2c1nc1ccccc1c2NC(=O)CNCCc1ccc(O)cc1.Cl
InChIInChI=1S/C22H24N4O2.ClH/c1-26-13-11-18-21(17-4-2-3-5-19(17)24-22(18)26)25-20(28)14-23-12-10-15-6-8-16(27)9-7-15;/h2-9,23,27H,10-14H2,1H3,(H,24,25,28);1H
InChIKeyCRXCNAIMJDMQPB-UHFFFAOYSA-N
XLogP3.13
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(4-hydroxyphenyl)ethylamino]-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyphenyl)ethylamino]-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-[2-(4-hydroxyphenyl)ethylamino]-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;hydrochloride (CID 52994942) is 2-[2-(4-hydroxyphenyl)ethylamino]-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)ethylamino]-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)ethylamino]-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;hydrochloride is CN1CCc2c1nc1ccccc1c2NC(=O)CNCCc1ccc(O)cc1.Cl.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)ethylamino]-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;hydrochloride?
The InChIKey is CRXCNAIMJDMQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2.ClH/c1-26-13-11-18-21(17-4-2-3-5-19(17)24-22(18)26)25-20(28)14-23-12-10-15-6-8-16(27)9-7-15;/h2-9,23,27H,10-14H2,1H3,(H,24,25,28);1H.
What are the key properties of 2-[2-(4-hydroxyphenyl)ethylamino]-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;hydrochloride?
2-[2-(4-hydroxyphenyl)ethylamino]-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;hydrochloride has a molecular weight of 412.92 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)ethylamino]-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 52994942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).