N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dihydro-2H-quinoline-1-carbothioamide

C19H18N4S — CID 135794199

IUPACN-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dihydro-2H-quinoline-1-carbothioamide
SMILESS=C(N/N=C\c1c[nH]c2ccccc12)N1CCCc2ccccc21
InChIInChI=1S/C19H18N4S/c24-19(23-11-5-7-14-6-1-4-10-18(14)23)22-21-13-15-12-20-17-9-3-2-8-16(15)17/h1-4,6,8-10,12-13,20H,5,7,11H2,(H,22,24)/b21-13-
InChIKeyXGGVQWWOYFLZIU-BKUYFWCQSA-N
MW334.45 g/mol
LogP3.83
Rot. Bonds2

About N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dihydro-2H-quinoline-1-carbothioamide

N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dihydro-2H-quinoline-1-carbothioamide (PubChem CID 135794199) has the molecular formula C19H18N4S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dihydro-2H-quinoline-1-carbothioamide.

Molecular Properties

Compound NameN-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dihydro-2H-quinoline-1-carbothioamide
PubChem CID135794199
Molecular FormulaC19H18N4S
Molecular Weight334.45 g/mol
Exact Mass334.13
IUPAC NameN-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dihydro-2H-quinoline-1-carbothioamide
SMILESS=C(N/N=C\c1c[nH]c2ccccc12)N1CCCc2ccccc21
InChIInChI=1S/C19H18N4S/c24-19(23-11-5-7-14-6-1-4-10-18(14)23)22-21-13-15-12-20-17-9-3-2-8-16(15)17/h1-4,6,8-10,12-13,20H,5,7,11H2,(H,22,24)/b21-13-
InChIKeyXGGVQWWOYFLZIU-BKUYFWCQSA-N
XLogP3.83
TPSA43.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indol-3-ylmethylideneamino)cyclobutanecarboxamide
CID 154480630
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
1-(1H-indol-3-ylmethylideneamino)-3-(4-methylphenyl)thiourea
CID 910437
1-[(Z)-1H-indol-3-ylmethylideneamino]-3-(4-methylphenyl)thiourea
CID 135886399
3-[(1H-indol-3-ylmethylideneamino)carbamothioylamino]benzoic acid
CID 3250779
1-benzyl-3-[(Z)-1H-indol-3-ylmethylideneamino]thiourea
CID 136661043
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-3-yl)-2-methylpropan-1-one
CID 113209001
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea
CID 137212579
(1R,6S)-N-[(E)-1H-indol-3-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 135733521
N-[(E)-1H-indol-3-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 135646971

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dihydro-2H-quinoline-1-carbothioamide?
The IUPAC name of N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dihydro-2H-quinoline-1-carbothioamide (CID 135794199) is N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dihydro-2H-quinoline-1-carbothioamide.
What is the SMILES notation for N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dihydro-2H-quinoline-1-carbothioamide?
The canonical SMILES for N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dihydro-2H-quinoline-1-carbothioamide is S=C(N/N=C\c1c[nH]c2ccccc12)N1CCCc2ccccc21.
What is the InChIKey of N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dihydro-2H-quinoline-1-carbothioamide?
The InChIKey is XGGVQWWOYFLZIU-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H18N4S/c24-19(23-11-5-7-14-6-1-4-10-18(14)23)22-21-13-15-12-20-17-9-3-2-8-16(15)17/h1-4,6,8-10,12-13,20H,5,7,11H2,(H,22,24)/b21-13-.
What are the key properties of N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dihydro-2H-quinoline-1-carbothioamide?
N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dihydro-2H-quinoline-1-carbothioamide has a molecular weight of 334.45 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dihydro-2H-quinoline-1-carbothioamide is sourced from PubChem (CID 135794199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).