2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-imino-1H-isoindol-2-yl)acetamide;hydrobromide

C19H21BrN4O — CID 71902576

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-imino-1H-isoindol-2-yl)acetamide;hydrobromide
SMILESBr.[H]/N=C1\c2ccccc2CN1NC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C19H20N4O.BrH/c20-19-16-9-3-1-7-15(16)12-23(19)21-18(24)13-22-11-5-8-14-6-2-4-10-17(14)22;/h1-4,6-7,9-10,20H,5,8,11-13H2,(H,21,24);1H/b20-19+;
InChIKeyJVUZPBHGHARUPK-RZLHGTIFSA-N
MW401.31 g/mol
LogP2.89
Rot. Bonds3

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-imino-1H-isoindol-2-yl)acetamide;hydrobromide

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-imino-1H-isoindol-2-yl)acetamide;hydrobromide (PubChem CID 71902576) has the molecular formula C19H21BrN4O and a molecular weight of 401.31 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-imino-1H-isoindol-2-yl)acetamide;hydrobromide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-imino-1H-isoindol-2-yl)acetamide;hydrobromide
PubChem CID71902576
Molecular FormulaC19H21BrN4O
Molecular Weight401.31 g/mol
Exact Mass400.09
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-imino-1H-isoindol-2-yl)acetamide;hydrobromide
SMILESBr.[H]/N=C1\c2ccccc2CN1NC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C19H20N4O.BrH/c20-19-16-9-3-1-7-15(16)12-23(19)21-18(24)13-22-11-5-8-14-6-2-4-10-17(14)22;/h1-4,6-7,9-10,20H,5,8,11-13H2,(H,21,24);1H/b20-19+;
InChIKeyJVUZPBHGHARUPK-RZLHGTIFSA-N
XLogP2.89
TPSA59.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-imino-1H-isoindol-2-yl)acetamide;hydrobromide with MolForge

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

Launch Full Analysis

Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid
CID 28866702
N-cyclohexyl-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8686666
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 27131729
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994643
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-methylthiourea
CID 8659375
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide
CID 8614282
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 4790915
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331
N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 4092454
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
CID 38707921

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-imino-1H-isoindol-2-yl)acetamide;hydrobromide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-imino-1H-isoindol-2-yl)acetamide;hydrobromide (CID 71902576) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-imino-1H-isoindol-2-yl)acetamide;hydrobromide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-imino-1H-isoindol-2-yl)acetamide;hydrobromide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-imino-1H-isoindol-2-yl)acetamide;hydrobromide is Br.[H]/N=C1\c2ccccc2CN1NC(=O)CN1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-imino-1H-isoindol-2-yl)acetamide;hydrobromide?
The InChIKey is JVUZPBHGHARUPK-RZLHGTIFSA-N. The full InChI is InChI=1S/C19H20N4O.BrH/c20-19-16-9-3-1-7-15(16)12-23(19)21-18(24)13-22-11-5-8-14-6-2-4-10-17(14)22;/h1-4,6-7,9-10,20H,5,8,11-13H2,(H,21,24);1H/b20-19+;.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-imino-1H-isoindol-2-yl)acetamide;hydrobromide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-imino-1H-isoindol-2-yl)acetamide;hydrobromide has a molecular weight of 401.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-imino-1H-isoindol-2-yl)acetamide;hydrobromide is sourced from PubChem (CID 71902576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).