1-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-propylthiourea

C17H20N4OS — CID 24820054

IUPAC1-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-propylthiourea
SMILESCCCNC(=S)NNC(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C17H20N4OS/c1-2-9-18-17(23)21-20-16(22)13-10-15(11-7-8-11)19-14-6-4-3-5-12(13)14/h3-6,10-11H,2,7-9H2,1H3,(H,20,22)(H2,18,21,23)
InChIKeyNNAUVTXNSCUSHF-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.63
Rot. Bonds4

About 1-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-propylthiourea

1-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-propylthiourea (PubChem CID 24820054) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-propylthiourea.

Molecular Properties

Compound Name1-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-propylthiourea
PubChem CID24820054
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name1-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-propylthiourea
SMILESCCCNC(=S)NNC(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C17H20N4OS/c1-2-9-18-17(23)21-20-16(22)13-10-15(11-7-8-11)19-14-6-4-3-5-12(13)14/h3-6,10-11H,2,7-9H2,1H3,(H,20,22)(H2,18,21,23)
InChIKeyNNAUVTXNSCUSHF-UHFFFAOYSA-N
XLogP2.63
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-propylthiourea?
The IUPAC name of 1-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-propylthiourea (CID 24820054) is 1-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-propylthiourea.
What is the SMILES notation for 1-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-propylthiourea?
The canonical SMILES for 1-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-propylthiourea is CCCNC(=S)NNC(=O)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of 1-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-propylthiourea?
The InChIKey is NNAUVTXNSCUSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-2-9-18-17(23)21-20-16(22)13-10-15(11-7-8-11)19-14-6-4-3-5-12(13)14/h3-6,10-11H,2,7-9H2,1H3,(H,20,22)(H2,18,21,23).
What are the key properties of 1-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-propylthiourea?
1-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-propylthiourea has a molecular weight of 328.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-propylthiourea is sourced from PubChem (CID 24820054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).