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

C19H19N5OS — CID 24818520

IUPAC1-propyl-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea
SMILESCCCNC(=S)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C19H19N5OS/c1-2-9-21-19(26)24-23-18(25)15-11-17(13-6-5-10-20-12-13)22-16-8-4-3-7-14(15)16/h3-8,10-12H,2,9H2,1H3,(H,23,25)(H2,21,24,26)
InChIKeyMVFBBTBSBJLIEK-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.82
Rot. Bonds4

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

1-propyl-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea (PubChem CID 24818520) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-propyl-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea.

Molecular Properties

Compound Name1-propyl-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea
PubChem CID24818520
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name1-propyl-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea
SMILESCCCNC(=S)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C19H19N5OS/c1-2-9-21-19(26)24-23-18(25)15-11-17(13-6-5-10-20-12-13)22-16-8-4-3-7-14(15)16/h3-8,10-12H,2,9H2,1H3,(H,23,25)(H2,21,24,26)
InChIKeyMVFBBTBSBJLIEK-UHFFFAOYSA-N
XLogP2.82
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea?
The IUPAC name of 1-propyl-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea (CID 24818520) is 1-propyl-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea.
What is the SMILES notation for 1-propyl-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea?
The canonical SMILES for 1-propyl-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea is CCCNC(=S)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of 1-propyl-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea?
The InChIKey is MVFBBTBSBJLIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-2-9-21-19(26)24-23-18(25)15-11-17(13-6-5-10-20-12-13)22-16-8-4-3-7-14(15)16/h3-8,10-12H,2,9H2,1H3,(H,23,25)(H2,21,24,26).
What are the key properties of 1-propyl-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea?
1-propyl-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea has a molecular weight of 365.46 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea is sourced from PubChem (CID 24818520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).