bis(2-aminoacridin-1-yl)methanone

C27H18N4O — CID 175429636

IUPACbis(2-aminoacridin-1-yl)methanone
SMILESNc1ccc2nc3ccccc3cc2c1C(=O)c1c(N)ccc2nc3ccccc3cc12
InChIInChI=1S/C27H18N4O/c28-19-9-11-23-17(13-15-5-1-3-7-21(15)30-23)25(19)27(32)26-18-14-16-6-2-4-8-22(16)31-24(18)12-10-20(26)29/h1-14H,28-29H2
InChIKeyHLHVVNIJCFQCBI-UHFFFAOYSA-N
MW414.47 g/mol
LogP5.48
Rot. Bonds2

About bis(2-aminoacridin-1-yl)methanone

bis(2-aminoacridin-1-yl)methanone (PubChem CID 175429636) has the molecular formula C27H18N4O and a molecular weight of 414.47 g/mol. Its IUPAC name is bis(2-aminoacridin-1-yl)methanone.

Molecular Properties

Compound Namebis(2-aminoacridin-1-yl)methanone
PubChem CID175429636
Molecular FormulaC27H18N4O
Molecular Weight414.47 g/mol
Exact Mass414.15
IUPAC Namebis(2-aminoacridin-1-yl)methanone
SMILESNc1ccc2nc3ccccc3cc2c1C(=O)c1c(N)ccc2nc3ccccc3cc12
InChIInChI=1S/C27H18N4O/c28-19-9-11-23-17(13-15-5-1-3-7-21(15)30-23)25(19)27(32)26-18-14-16-6-2-4-8-22(16)31-24(18)12-10-20(26)29/h1-14H,28-29H2
InChIKeyHLHVVNIJCFQCBI-UHFFFAOYSA-N
XLogP5.48
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.47
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-aminoacridine-1-carboxylic acid
CID 122423819
acridine-1,2-dicarboxamide
CID 154155519
1-phenylacridin-2-amine
CID 87481080
acridine-1-carbonyl acridine-1-carboxylate
CID 54394686
acridine
CID 21226281
acridine-1,2-disulfonic acid
CID 151823397
bicyclo[3.1.0]hexa-1(6),2,4-triene;1-hexanoylacridine-2-carbaldehyde
CID 174439522
methyl acridine-1-carboxylate
CID 54560619
acridine;2,2-diphenylacetic acid
CID 139120811
acridine-1-carbothioamide
CID 154008733
acridine-1-sulfinic acid
CID 91240554
(2,5-dioxopyrrolidin-1-yl) 2-methylacridine-1-carboxylate
CID 139948431

Frequently Asked Questions

What is the IUPAC name of bis(2-aminoacridin-1-yl)methanone?
The IUPAC name of bis(2-aminoacridin-1-yl)methanone (CID 175429636) is bis(2-aminoacridin-1-yl)methanone.
What is the SMILES notation for bis(2-aminoacridin-1-yl)methanone?
The canonical SMILES for bis(2-aminoacridin-1-yl)methanone is Nc1ccc2nc3ccccc3cc2c1C(=O)c1c(N)ccc2nc3ccccc3cc12.
What is the InChIKey of bis(2-aminoacridin-1-yl)methanone?
The InChIKey is HLHVVNIJCFQCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N4O/c28-19-9-11-23-17(13-15-5-1-3-7-21(15)30-23)25(19)27(32)26-18-14-16-6-2-4-8-22(16)31-24(18)12-10-20(26)29/h1-14H,28-29H2.
What are the key properties of bis(2-aminoacridin-1-yl)methanone?
bis(2-aminoacridin-1-yl)methanone has a molecular weight of 414.47 g/mol, XLogP of 5.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminoacridin-1-yl)methanone is sourced from PubChem (CID 175429636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).