(7-ethoxy-9-oxo-10H-acridin-3-yl)thiourea

C16H15N3O2S — CID 169360017

IUPAC(7-ethoxy-9-oxo-10H-acridin-3-yl)thiourea
SMILESCCOc1ccc2[nH]c3cc(NC(N)=S)ccc3c(=O)c2c1
InChIInChI=1S/C16H15N3O2S/c1-2-21-10-4-6-13-12(8-10)15(20)11-5-3-9(18-16(17)22)7-14(11)19-13/h3-8H,2H2,1H3,(H,19,20)(H3,17,18,22)
InChIKeyUCDBMSKZCJQSMV-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.74
Rot. Bonds3

About (7-ethoxy-9-oxo-10H-acridin-3-yl)thiourea

(7-ethoxy-9-oxo-10H-acridin-3-yl)thiourea (PubChem CID 169360017) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is (7-ethoxy-9-oxo-10H-acridin-3-yl)thiourea.

Molecular Properties

Compound Name(7-ethoxy-9-oxo-10H-acridin-3-yl)thiourea
PubChem CID169360017
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name(7-ethoxy-9-oxo-10H-acridin-3-yl)thiourea
SMILESCCOc1ccc2[nH]c3cc(NC(N)=S)ccc3c(=O)c2c1
InChIInChI=1S/C16H15N3O2S/c1-2-21-10-4-6-13-12(8-10)15(20)11-5-3-9(18-16(17)22)7-14(11)19-13/h3-8H,2H2,1H3,(H,19,20)(H3,17,18,22)
InChIKeyUCDBMSKZCJQSMV-UHFFFAOYSA-N
XLogP2.74
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-ethoxy-9-oxo-10H-acridin-3-yl)thiourea?
The IUPAC name of (7-ethoxy-9-oxo-10H-acridin-3-yl)thiourea (CID 169360017) is (7-ethoxy-9-oxo-10H-acridin-3-yl)thiourea.
What is the SMILES notation for (7-ethoxy-9-oxo-10H-acridin-3-yl)thiourea?
The canonical SMILES for (7-ethoxy-9-oxo-10H-acridin-3-yl)thiourea is CCOc1ccc2[nH]c3cc(NC(N)=S)ccc3c(=O)c2c1.
What is the InChIKey of (7-ethoxy-9-oxo-10H-acridin-3-yl)thiourea?
The InChIKey is UCDBMSKZCJQSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-2-21-10-4-6-13-12(8-10)15(20)11-5-3-9(18-16(17)22)7-14(11)19-13/h3-8H,2H2,1H3,(H,19,20)(H3,17,18,22).
What are the key properties of (7-ethoxy-9-oxo-10H-acridin-3-yl)thiourea?
(7-ethoxy-9-oxo-10H-acridin-3-yl)thiourea has a molecular weight of 313.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethoxy-9-oxo-10H-acridin-3-yl)thiourea is sourced from PubChem (CID 169360017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).