tert-butyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(quinolin-6-ylmethylidene)hydrazinyl]propan-2-yl]carbamate

C26H27N5O3 — CID 4292722

IUPACtert-butyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(quinolin-6-ylmethylidene)hydrazinyl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NN=Cc1ccc2ncccc2c1
InChIInChI=1S/C26H27N5O3/c1-26(2,3)34-25(33)30-23(14-19-16-28-22-9-5-4-8-20(19)22)24(32)31-29-15-17-10-11-21-18(13-17)7-6-12-27-21/h4-13,15-16,23,28H,14H2,1-3H3,(H,30,33)(H,31,32)
InChIKeySWOIQTXTMCAPFH-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.30
Rot. Bonds6

About tert-butyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(quinolin-6-ylmethylidene)hydrazinyl]propan-2-yl]carbamate

tert-butyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(quinolin-6-ylmethylidene)hydrazinyl]propan-2-yl]carbamate (PubChem CID 4292722) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is tert-butyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(quinolin-6-ylmethylidene)hydrazinyl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(quinolin-6-ylmethylidene)hydrazinyl]propan-2-yl]carbamate
PubChem CID4292722
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Nametert-butyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(quinolin-6-ylmethylidene)hydrazinyl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NN=Cc1ccc2ncccc2c1
InChIInChI=1S/C26H27N5O3/c1-26(2,3)34-25(33)30-23(14-19-16-28-22-9-5-4-8-20(19)22)24(32)31-29-15-17-10-11-21-18(13-17)7-6-12-27-21/h4-13,15-16,23,28H,14H2,1-3H3,(H,30,33)(H,31,32)
InChIKeySWOIQTXTMCAPFH-UHFFFAOYSA-N
XLogP4.30
TPSA108.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(quinolin-6-ylmethylidene)hydrazinyl]propan-2-yl]carbamate 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

tert-butyl N-[(2S)-1-[(2E)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 24963029
tert-butyl N-[(2S,3R)-3-methyl-1-oxo-1-[(2Z)-2-(quinolin-6-ylmethylidene)hydrazinyl]pentan-2-yl]carbamate
CID 6585117
tert-butyl N-[(2S)-3-(1H-indol-3-yl)-1-[(2Z)-2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-1-oxopropan-2-yl]carbamate
CID 136888581
tert-butyl N-[(2R)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 7109658
tert-butyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 10666931
2-amino-3-(1H-indol-3-yl)-N-[(Z)-quinoxalin-6-ylmethylideneamino]propanamide;hydrochloride
CID 134692171
methyl (2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 15755404
tert-butyl N-[(2R)-1-[[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 131724766
tert-butyl N-[(2S)-3-(1H-indol-3-yl)-1-(4-methoxyanilino)-1-oxopropan-2-yl]carbamate
CID 7437847
tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-(naphthalene-1-carbonylamino)-1-oxopropan-2-yl]carbamate
CID 68870188
(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride
CID 141497197
methyl 2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
CID 6999730

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(quinolin-6-ylmethylidene)hydrazinyl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(quinolin-6-ylmethylidene)hydrazinyl]propan-2-yl]carbamate (CID 4292722) is tert-butyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(quinolin-6-ylmethylidene)hydrazinyl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(quinolin-6-ylmethylidene)hydrazinyl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(quinolin-6-ylmethylidene)hydrazinyl]propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NN=Cc1ccc2ncccc2c1.
What is the InChIKey of tert-butyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(quinolin-6-ylmethylidene)hydrazinyl]propan-2-yl]carbamate?
The InChIKey is SWOIQTXTMCAPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-26(2,3)34-25(33)30-23(14-19-16-28-22-9-5-4-8-20(19)22)24(32)31-29-15-17-10-11-21-18(13-17)7-6-12-27-21/h4-13,15-16,23,28H,14H2,1-3H3,(H,30,33)(H,31,32).
What are the key properties of tert-butyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(quinolin-6-ylmethylidene)hydrazinyl]propan-2-yl]carbamate?
tert-butyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(quinolin-6-ylmethylidene)hydrazinyl]propan-2-yl]carbamate has a molecular weight of 457.53 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1H-indol-3-yl)-1-oxo-1-[2-(quinolin-6-ylmethylidene)hydrazinyl]propan-2-yl]carbamate is sourced from PubChem (CID 4292722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).