2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetohydrazide

C21H19ClN4O2 — CID 21449397

IUPAC2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetohydrazide
SMILESCOc1ccc2c(c1)c(CC(=O)NN)c(C)n2-c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C21H19ClN4O2/c1-12-16(11-21(27)25-23)17-10-14(28-2)4-6-19(17)26(12)20-7-8-24-18-9-13(22)3-5-15(18)20/h3-10H,11,23H2,1-2H3,(H,25,27)
InChIKeyVJCJYBGOCPHNTD-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.68
Rot. Bonds4

About 2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetohydrazide

2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetohydrazide (PubChem CID 21449397) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetohydrazide.

Molecular Properties

Compound Name2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetohydrazide
PubChem CID21449397
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetohydrazide
SMILESCOc1ccc2c(c1)c(CC(=O)NN)c(C)n2-c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C21H19ClN4O2/c1-12-16(11-21(27)25-23)17-10-14(28-2)4-6-19(17)26(12)20-7-8-24-18-9-13(22)3-5-15(18)20/h3-10H,11,23H2,1-2H3,(H,25,27)
InChIKeyVJCJYBGOCPHNTD-UHFFFAOYSA-N
XLogP3.68
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetohydrazide 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

phenyl 2-[1-(7-chloroquinazolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetate
CID 21449391
2-[1-[(2-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide
CID 10832199
N-[2-(2-aminoethyldisulfanyl)ethyl]-2-[1-(4-chlorophenyl)-5-methoxy-2-methylindol-3-yl]acetamide
CID 89427773
N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]propanehydrazide
CID 2476194
2-(5-methoxy-2-methyl-1-octylindol-3-yl)acetohydrazide
CID 70239958
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-methylbutan-2-yl)acetamide
CID 7935529
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 24825528
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-methylsulfonylacetamide
CID 12658319
2-[1-[(3-aminophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide
CID 10712051
2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 6916018
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-cyclopentylacetamide
CID 1265009
2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]ethylcarbamic acid
CID 66813186

Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetohydrazide?
The IUPAC name of 2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetohydrazide (CID 21449397) is 2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetohydrazide.
What is the SMILES notation for 2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetohydrazide?
The canonical SMILES for 2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetohydrazide is COc1ccc2c(c1)c(CC(=O)NN)c(C)n2-c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetohydrazide?
The InChIKey is VJCJYBGOCPHNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-12-16(11-21(27)25-23)17-10-14(28-2)4-6-19(17)26(12)20-7-8-24-18-9-13(22)3-5-15(18)20/h3-10H,11,23H2,1-2H3,(H,25,27).
What are the key properties of 2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetohydrazide?
2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetohydrazide has a molecular weight of 394.86 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-chloroquinolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetohydrazide is sourced from PubChem (CID 21449397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).