1-(acridin-9-ylamino)-3-phenylurea

C20H16N4O — CID 4578622

IUPAC1-(acridin-9-ylamino)-3-phenylurea
SMILESO=C(NNc1c2ccccc2nc2ccccc12)Nc1ccccc1
InChIInChI=1S/C20H16N4O/c25-20(21-14-8-2-1-3-9-14)24-23-19-15-10-4-6-12-17(15)22-18-13-7-5-11-16(18)19/h1-13H,(H,22,23)(H2,21,24,25)
InChIKeyMCAXCOPXBWFSEY-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.54
Rot. Bonds3

About 1-(acridin-9-ylamino)-3-phenylurea

1-(acridin-9-ylamino)-3-phenylurea (PubChem CID 4578622) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-(acridin-9-ylamino)-3-phenylurea.

Molecular Properties

Compound Name1-(acridin-9-ylamino)-3-phenylurea
PubChem CID4578622
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name1-(acridin-9-ylamino)-3-phenylurea
SMILESO=C(NNc1c2ccccc2nc2ccccc12)Nc1ccccc1
InChIInChI=1S/C20H16N4O/c25-20(21-14-8-2-1-3-9-14)24-23-19-15-10-4-6-12-17(15)22-18-13-7-5-11-16(18)19/h1-13H,(H,22,23)(H2,21,24,25)
InChIKeyMCAXCOPXBWFSEY-UHFFFAOYSA-N
XLogP4.54
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(acridin-9-ylamino)-3-phenylurea?
The IUPAC name of 1-(acridin-9-ylamino)-3-phenylurea (CID 4578622) is 1-(acridin-9-ylamino)-3-phenylurea.
What is the SMILES notation for 1-(acridin-9-ylamino)-3-phenylurea?
The canonical SMILES for 1-(acridin-9-ylamino)-3-phenylurea is O=C(NNc1c2ccccc2nc2ccccc12)Nc1ccccc1.
What is the InChIKey of 1-(acridin-9-ylamino)-3-phenylurea?
The InChIKey is MCAXCOPXBWFSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c25-20(21-14-8-2-1-3-9-14)24-23-19-15-10-4-6-12-17(15)22-18-13-7-5-11-16(18)19/h1-13H,(H,22,23)(H2,21,24,25).
What are the key properties of 1-(acridin-9-ylamino)-3-phenylurea?
1-(acridin-9-ylamino)-3-phenylurea has a molecular weight of 328.38 g/mol, XLogP of 4.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(acridin-9-ylamino)-3-phenylurea is sourced from PubChem (CID 4578622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).