N-[4-[(quinolin-8-ylcarbamothioylhydrazinylidene)methyl]phenyl]acetamide

C19H17N5OS — CID 5131994

IUPACN-[4-[(quinolin-8-ylcarbamothioylhydrazinylidene)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C=NNC(=S)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C19H17N5OS/c1-13(25)22-16-9-7-14(8-10-16)12-21-24-19(26)23-17-6-2-4-15-5-3-11-20-18(15)17/h2-12H,1H3,(H,22,25)(H2,23,24,26)
InChIKeyVJJAHTCQMLVBSA-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.51
Rot. Bonds4

About N-[4-[(quinolin-8-ylcarbamothioylhydrazinylidene)methyl]phenyl]acetamide

N-[4-[(quinolin-8-ylcarbamothioylhydrazinylidene)methyl]phenyl]acetamide (PubChem CID 5131994) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[4-[(quinolin-8-ylcarbamothioylhydrazinylidene)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(quinolin-8-ylcarbamothioylhydrazinylidene)methyl]phenyl]acetamide
PubChem CID5131994
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC NameN-[4-[(quinolin-8-ylcarbamothioylhydrazinylidene)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C=NNC(=S)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C19H17N5OS/c1-13(25)22-16-9-7-14(8-10-16)12-21-24-19(26)23-17-6-2-4-15-5-3-11-20-18(15)17/h2-12H,1H3,(H,22,25)(H2,23,24,26)
InChIKeyVJJAHTCQMLVBSA-UHFFFAOYSA-N
XLogP3.51
TPSA78.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[4-[(Z)-[[2-(trifluoromethyl)phenyl]carbamothioylhydrazinylidene]methyl]phenyl]acetamide
CID 7937343
N-[4-[(E)-[(4-hydroxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl]acetamide
CID 143848723
1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-3-quinolin-8-ylthiourea
CID 136766500
N-quinolin-8-ylhex-3-enamide
CID 151663814
N-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866755
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(quinolin-8-ylamino)prop-2-enamide
CID 108818817
1-(2,6-diethylphenyl)-3-quinolin-8-ylthiourea
CID 23732072
N-(4-tert-butylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108954735
1-(2,4-dimethylphenyl)-3-(quinolin-6-ylmethylideneamino)thiourea
CID 2424034
5-(4-acetamidoanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109245897
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 952487

Frequently Asked Questions

What is the IUPAC name of N-[4-[(quinolin-8-ylcarbamothioylhydrazinylidene)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(quinolin-8-ylcarbamothioylhydrazinylidene)methyl]phenyl]acetamide (CID 5131994) is N-[4-[(quinolin-8-ylcarbamothioylhydrazinylidene)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(quinolin-8-ylcarbamothioylhydrazinylidene)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(quinolin-8-ylcarbamothioylhydrazinylidene)methyl]phenyl]acetamide is CC(=O)Nc1ccc(C=NNC(=S)Nc2cccc3cccnc23)cc1.
What is the InChIKey of N-[4-[(quinolin-8-ylcarbamothioylhydrazinylidene)methyl]phenyl]acetamide?
The InChIKey is VJJAHTCQMLVBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-13(25)22-16-9-7-14(8-10-16)12-21-24-19(26)23-17-6-2-4-15-5-3-11-20-18(15)17/h2-12H,1H3,(H,22,25)(H2,23,24,26).
What are the key properties of N-[4-[(quinolin-8-ylcarbamothioylhydrazinylidene)methyl]phenyl]acetamide?
N-[4-[(quinolin-8-ylcarbamothioylhydrazinylidene)methyl]phenyl]acetamide has a molecular weight of 363.45 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(quinolin-8-ylcarbamothioylhydrazinylidene)methyl]phenyl]acetamide is sourced from PubChem (CID 5131994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).