4-(acridin-9-ylamino)-3-chlorophenol

C19H13ClN2O — CID 171978533

IUPAC4-(acridin-9-ylamino)-3-chlorophenol
SMILESOc1ccc(Nc2c3ccccc3nc3ccccc23)c(Cl)c1
InChIInChI=1S/C19H13ClN2O/c20-15-11-12(23)9-10-18(15)22-19-13-5-1-3-7-16(13)21-17-8-4-2-6-14(17)19/h1-11,23H,(H,21,22)
InChIKeyVFXGJIMPBNNYDJ-UHFFFAOYSA-N
MW320.78 g/mol
LogP5.49
Rot. Bonds2

About 4-(acridin-9-ylamino)-3-chlorophenol

4-(acridin-9-ylamino)-3-chlorophenol (PubChem CID 171978533) has the molecular formula C19H13ClN2O and a molecular weight of 320.78 g/mol. Its IUPAC name is 4-(acridin-9-ylamino)-3-chlorophenol.

Molecular Properties

Compound Name4-(acridin-9-ylamino)-3-chlorophenol
PubChem CID171978533
Molecular FormulaC19H13ClN2O
Molecular Weight320.78 g/mol
Exact Mass320.07
IUPAC Name4-(acridin-9-ylamino)-3-chlorophenol
SMILESOc1ccc(Nc2c3ccccc3nc3ccccc23)c(Cl)c1
InChIInChI=1S/C19H13ClN2O/c20-15-11-12(23)9-10-18(15)22-19-13-5-1-3-7-16(13)21-17-8-4-2-6-14(17)19/h1-11,23H,(H,21,22)
InChIKeyVFXGJIMPBNNYDJ-UHFFFAOYSA-N
XLogP5.49
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.78
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine
CID 22692895
3-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692943
4-N-(2-chloro-4-iodophenyl)quinoline-3,4-diamine
CID 107606277
N-[3-(acridin-9-ylamino)-5-hydroxyphenyl]acetamide
CID 18962360
2-N-(2,4-dichlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690548
4-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692945
[3,5-bis(acridin-9-ylamino)phenyl]methanol
CID 10368395
4-(2-chloroanilino)quinoline-2-carboxylic acid
CID 63538967
methyl N-[2-(acridin-9-ylamino)phenyl]carbamate;hydrochloride
CID 138402094
N-[2-(acridin-9-ylamino)phenyl]methanesulfonamide
CID 10428796
sodium;9-chloroacridine;bis(N-(4-chlorophenyl)acridin-9-amine);hydroxide;hydrochloride
CID 160972351
4-N-acridin-9-yl-2-methoxy-1-N-methylbenzene-1,4-diamine
CID 10616345

Frequently Asked Questions

What is the IUPAC name of 4-(acridin-9-ylamino)-3-chlorophenol?
The IUPAC name of 4-(acridin-9-ylamino)-3-chlorophenol (CID 171978533) is 4-(acridin-9-ylamino)-3-chlorophenol.
What is the SMILES notation for 4-(acridin-9-ylamino)-3-chlorophenol?
The canonical SMILES for 4-(acridin-9-ylamino)-3-chlorophenol is Oc1ccc(Nc2c3ccccc3nc3ccccc23)c(Cl)c1.
What is the InChIKey of 4-(acridin-9-ylamino)-3-chlorophenol?
The InChIKey is VFXGJIMPBNNYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O/c20-15-11-12(23)9-10-18(15)22-19-13-5-1-3-7-16(13)21-17-8-4-2-6-14(17)19/h1-11,23H,(H,21,22).
What are the key properties of 4-(acridin-9-ylamino)-3-chlorophenol?
4-(acridin-9-ylamino)-3-chlorophenol has a molecular weight of 320.78 g/mol, XLogP of 5.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acridin-9-ylamino)-3-chlorophenol is sourced from PubChem (CID 171978533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).