1-(2-methoxyethyl)-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea

C19H19N5O2S — CID 24819782

IUPAC1-(2-methoxyethyl)-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea
SMILESCOCCNC(=S)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C19H19N5O2S/c1-26-10-9-21-19(27)24-23-18(25)15-11-17(13-5-4-8-20-12-13)22-16-7-3-2-6-14(15)16/h2-8,11-12H,9-10H2,1H3,(H,23,25)(H2,21,24,27)
InChIKeyOEBSWCHNQNEYOL-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.05
Rot. Bonds5

About 1-(2-methoxyethyl)-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea

1-(2-methoxyethyl)-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea (PubChem CID 24819782) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea
PubChem CID24819782
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name1-(2-methoxyethyl)-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea
SMILESCOCCNC(=S)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C19H19N5O2S/c1-26-10-9-21-19(27)24-23-18(25)15-11-17(13-5-4-8-20-12-13)22-16-7-3-2-6-14(15)16/h2-8,11-12H,9-10H2,1H3,(H,23,25)(H2,21,24,27)
InChIKeyOEBSWCHNQNEYOL-UHFFFAOYSA-N
XLogP2.05
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[2-(4-methylphenoxy)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 24681313
ethyl 4-[[(2-pyridin-3-ylquinoline-4-carbonyl)amino]carbamothioylamino]benzoate
CID 1297375
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-pentylthiourea
CID 9220474
N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 27682804
N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 27756972
N'-(3-phenyl-1H-pyrazole-5-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide
CID 27689112
1-[(2-phenylquinoline-4-carbonyl)amino]-3-prop-2-enylthiourea
CID 12938019
N'-(5-methylthiophene-2-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide
CID 27679654
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 86972801

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea (CID 24819782) is 1-(2-methoxyethyl)-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea is COCCNC(=S)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of 1-(2-methoxyethyl)-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea?
The InChIKey is OEBSWCHNQNEYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-26-10-9-21-19(27)24-23-18(25)15-11-17(13-5-4-8-20-12-13)22-16-7-3-2-6-14(15)16/h2-8,11-12H,9-10H2,1H3,(H,23,25)(H2,21,24,27).
What are the key properties of 1-(2-methoxyethyl)-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea?
1-(2-methoxyethyl)-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea has a molecular weight of 381.46 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea is sourced from PubChem (CID 24819782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).