3-N-acridin-1-yl-4-methoxybenzene-1,3-diamine

C20H17N3O — CID 87747161

IUPAC3-N-acridin-1-yl-4-methoxybenzene-1,3-diamine
SMILESCOc1ccc(N)cc1Nc1cccc2nc3ccccc3cc12
InChIInChI=1S/C20H17N3O/c1-24-20-10-9-14(21)12-19(20)23-18-8-4-7-17-15(18)11-13-5-2-3-6-16(13)22-17/h2-12,23H,21H2,1H3
InChIKeyZXDQKRANKDRQLV-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.72
Rot. Bonds3

About 3-N-acridin-1-yl-4-methoxybenzene-1,3-diamine

3-N-acridin-1-yl-4-methoxybenzene-1,3-diamine (PubChem CID 87747161) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-N-acridin-1-yl-4-methoxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-acridin-1-yl-4-methoxybenzene-1,3-diamine
PubChem CID87747161
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name3-N-acridin-1-yl-4-methoxybenzene-1,3-diamine
SMILESCOc1ccc(N)cc1Nc1cccc2nc3ccccc3cc12
InChIInChI=1S/C20H17N3O/c1-24-20-10-9-14(21)12-19(20)23-18-8-4-7-17-15(18)11-13-5-2-3-6-16(13)22-17/h2-12,23H,21H2,1H3
InChIKeyZXDQKRANKDRQLV-UHFFFAOYSA-N
XLogP4.72
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 3-N-acridin-1-yl-4-methoxybenzene-1,3-diamine?
The IUPAC name of 3-N-acridin-1-yl-4-methoxybenzene-1,3-diamine (CID 87747161) is 3-N-acridin-1-yl-4-methoxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-acridin-1-yl-4-methoxybenzene-1,3-diamine?
The canonical SMILES for 3-N-acridin-1-yl-4-methoxybenzene-1,3-diamine is COc1ccc(N)cc1Nc1cccc2nc3ccccc3cc12.
What is the InChIKey of 3-N-acridin-1-yl-4-methoxybenzene-1,3-diamine?
The InChIKey is ZXDQKRANKDRQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-24-20-10-9-14(21)12-19(20)23-18-8-4-7-17-15(18)11-13-5-2-3-6-16(13)22-17/h2-12,23H,21H2,1H3.
What are the key properties of 3-N-acridin-1-yl-4-methoxybenzene-1,3-diamine?
3-N-acridin-1-yl-4-methoxybenzene-1,3-diamine has a molecular weight of 315.38 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-acridin-1-yl-4-methoxybenzene-1,3-diamine is sourced from PubChem (CID 87747161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).