methyl N-[6-(methoxycarbonylamino)acridin-3-yl]carbamate

C17H15N3O4 — CID 15252802

IUPACmethyl N-[6-(methoxycarbonylamino)acridin-3-yl]carbamate
SMILESCOC(=O)Nc1ccc2cc3ccc(NC(=O)OC)cc3nc2c1
InChIInChI=1S/C17H15N3O4/c1-23-16(21)18-12-5-3-10-7-11-4-6-13(19-17(22)24-2)9-15(11)20-14(10)8-12/h3-9H,1-2H3,(H,18,21)(H,19,22)
InChIKeyXYBVJOPDEDYVLC-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.74
Rot. Bonds2

About methyl N-[6-(methoxycarbonylamino)acridin-3-yl]carbamate

methyl N-[6-(methoxycarbonylamino)acridin-3-yl]carbamate (PubChem CID 15252802) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is methyl N-[6-(methoxycarbonylamino)acridin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-(methoxycarbonylamino)acridin-3-yl]carbamate
PubChem CID15252802
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Namemethyl N-[6-(methoxycarbonylamino)acridin-3-yl]carbamate
SMILESCOC(=O)Nc1ccc2cc3ccc(NC(=O)OC)cc3nc2c1
InChIInChI=1S/C17H15N3O4/c1-23-16(21)18-12-5-3-10-7-11-4-6-13(19-17(22)24-2)9-15(11)20-14(10)8-12/h3-9H,1-2H3,(H,18,21)(H,19,22)
InChIKeyXYBVJOPDEDYVLC-UHFFFAOYSA-N
XLogP3.74
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-[6-(methoxycarbonylamino)acridin-3-yl]carbamate?
The IUPAC name of methyl N-[6-(methoxycarbonylamino)acridin-3-yl]carbamate (CID 15252802) is methyl N-[6-(methoxycarbonylamino)acridin-3-yl]carbamate.
What is the SMILES notation for methyl N-[6-(methoxycarbonylamino)acridin-3-yl]carbamate?
The canonical SMILES for methyl N-[6-(methoxycarbonylamino)acridin-3-yl]carbamate is COC(=O)Nc1ccc2cc3ccc(NC(=O)OC)cc3nc2c1.
What is the InChIKey of methyl N-[6-(methoxycarbonylamino)acridin-3-yl]carbamate?
The InChIKey is XYBVJOPDEDYVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-23-16(21)18-12-5-3-10-7-11-4-6-13(19-17(22)24-2)9-15(11)20-14(10)8-12/h3-9H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of methyl N-[6-(methoxycarbonylamino)acridin-3-yl]carbamate?
methyl N-[6-(methoxycarbonylamino)acridin-3-yl]carbamate has a molecular weight of 325.32 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-(methoxycarbonylamino)acridin-3-yl]carbamate is sourced from PubChem (CID 15252802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).