1-[6-ethoxy-2-(methylcarbamoylamino)acridin-9-yl]-3-methylurea

C19H21N5O3 — CID 122373750

IUPAC1-[6-ethoxy-2-(methylcarbamoylamino)acridin-9-yl]-3-methylurea
SMILESCCOc1ccc2c(NC(=O)NC)c3cc(NC(=O)NC)ccc3nc2c1
InChIInChI=1S/C19H21N5O3/c1-4-27-12-6-7-13-16(10-12)23-15-8-5-11(22-18(25)20-2)9-14(15)17(13)24-19(26)21-3/h5-10H,4H2,1-3H3,(H2,20,22,25)(H2,21,23,24,26)
InChIKeyPQUFJPPXQWQXAL-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.29
Rot. Bonds4

About 1-[6-ethoxy-2-(methylcarbamoylamino)acridin-9-yl]-3-methylurea

1-[6-ethoxy-2-(methylcarbamoylamino)acridin-9-yl]-3-methylurea (PubChem CID 122373750) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[6-ethoxy-2-(methylcarbamoylamino)acridin-9-yl]-3-methylurea.

Molecular Properties

Compound Name1-[6-ethoxy-2-(methylcarbamoylamino)acridin-9-yl]-3-methylurea
PubChem CID122373750
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1-[6-ethoxy-2-(methylcarbamoylamino)acridin-9-yl]-3-methylurea
SMILESCCOc1ccc2c(NC(=O)NC)c3cc(NC(=O)NC)ccc3nc2c1
InChIInChI=1S/C19H21N5O3/c1-4-27-12-6-7-13-16(10-12)23-15-8-5-11(22-18(25)20-2)9-14(15)17(13)24-19(26)21-3/h5-10H,4H2,1-3H3,(H2,20,22,25)(H2,21,23,24,26)
InChIKeyPQUFJPPXQWQXAL-UHFFFAOYSA-N
XLogP3.29
TPSA104.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', '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-[6-ethoxy-2-(methylcarbamoylamino)acridin-9-yl]-3-methylurea?
The IUPAC name of 1-[6-ethoxy-2-(methylcarbamoylamino)acridin-9-yl]-3-methylurea (CID 122373750) is 1-[6-ethoxy-2-(methylcarbamoylamino)acridin-9-yl]-3-methylurea.
What is the SMILES notation for 1-[6-ethoxy-2-(methylcarbamoylamino)acridin-9-yl]-3-methylurea?
The canonical SMILES for 1-[6-ethoxy-2-(methylcarbamoylamino)acridin-9-yl]-3-methylurea is CCOc1ccc2c(NC(=O)NC)c3cc(NC(=O)NC)ccc3nc2c1.
What is the InChIKey of 1-[6-ethoxy-2-(methylcarbamoylamino)acridin-9-yl]-3-methylurea?
The InChIKey is PQUFJPPXQWQXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-4-27-12-6-7-13-16(10-12)23-15-8-5-11(22-18(25)20-2)9-14(15)17(13)24-19(26)21-3/h5-10H,4H2,1-3H3,(H2,20,22,25)(H2,21,23,24,26).
What are the key properties of 1-[6-ethoxy-2-(methylcarbamoylamino)acridin-9-yl]-3-methylurea?
1-[6-ethoxy-2-(methylcarbamoylamino)acridin-9-yl]-3-methylurea has a molecular weight of 367.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-ethoxy-2-(methylcarbamoylamino)acridin-9-yl]-3-methylurea is sourced from PubChem (CID 122373750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).