acridin-9-amine;4-hexylbenzene-1,3-diol

C25H28N2O2 — CID 24144

IUPACacridin-9-amine;4-hexylbenzene-1,3-diol
SMILESCCCCCCc1ccc(O)cc1O.Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C13H10N2.C12H18O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h1-8H,(H2,14,15);7-9,13-14H,2-6H2,1H3
InChIKeyYZODJQFXMFEJRM-UHFFFAOYSA-N
MW388.51 g/mol
LogP6.19
Rot. Bonds5

About acridin-9-amine;4-hexylbenzene-1,3-diol

acridin-9-amine;4-hexylbenzene-1,3-diol (PubChem CID 24144) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is acridin-9-amine;4-hexylbenzene-1,3-diol.

Molecular Properties

Compound Nameacridin-9-amine;4-hexylbenzene-1,3-diol
PubChem CID24144
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Nameacridin-9-amine;4-hexylbenzene-1,3-diol
SMILESCCCCCCc1ccc(O)cc1O.Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C13H10N2.C12H18O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h1-8H,(H2,14,15);7-9,13-14H,2-6H2,1H3
InChIKeyYZODJQFXMFEJRM-UHFFFAOYSA-N
XLogP6.19
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(9-Acridinylamino)phenol
CID 148949
2-Acridinol, 5,6,7,8-tetrahydro-9-amino-, dihydrate
CID 3077884
9-Amino-2-hydroxyacridine
CID 23520
Phenol, m-(9-acridinylamino)-
CID 148525
2-[2-(2-Quinolinyl)ethenyl]phenol
CID 2864430
Quininib
CID 135411330
2-(Acridin-9-ylamino)-4-methylphenol
CID 5088525
2-[2-(2,4-Dimethoxyphenyl)vinyl]quinoline
CID 5937428
4-[(E)-2-(quinolin-2-yl)ethenyl]phenol
CID 135408526
2-[(Z)-2-quinolin-2-ylethenyl]phenol
CID 136045796
3-(acridin-9-ylamino)phenol Hydrochloride
CID 2790527
4-[(2-Methyl-quinolin-4-yl)-hydrazonomethyl]-benzene-1,3-diol
CID 135468585

Frequently Asked Questions

What is the IUPAC name of acridin-9-amine;4-hexylbenzene-1,3-diol?
The IUPAC name of acridin-9-amine;4-hexylbenzene-1,3-diol (CID 24144) is acridin-9-amine;4-hexylbenzene-1,3-diol.
What is the SMILES notation for acridin-9-amine;4-hexylbenzene-1,3-diol?
The canonical SMILES for acridin-9-amine;4-hexylbenzene-1,3-diol is CCCCCCc1ccc(O)cc1O.Nc1c2ccccc2nc2ccccc12.
What is the InChIKey of acridin-9-amine;4-hexylbenzene-1,3-diol?
The InChIKey is YZODJQFXMFEJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2.C12H18O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h1-8H,(H2,14,15);7-9,13-14H,2-6H2,1H3.
What are the key properties of acridin-9-amine;4-hexylbenzene-1,3-diol?
acridin-9-amine;4-hexylbenzene-1,3-diol has a molecular weight of 388.51 g/mol, XLogP of 6.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acridin-9-amine;4-hexylbenzene-1,3-diol is sourced from PubChem (CID 24144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).