[2-methoxy-5-[(4-methoxyacridin-9-yl)amino]phenyl]carbamic acid

C22H19N3O4 — CID 91007171

IUPAC[2-methoxy-5-[(4-methoxyacridin-9-yl)amino]phenyl]carbamic acid
SMILESCOc1ccc(Nc2c3ccccc3nc3c(OC)cccc23)cc1NC(=O)O
InChIInChI=1S/C22H19N3O4/c1-28-18-11-10-13(12-17(18)25-22(26)27)23-20-14-6-3-4-8-16(14)24-21-15(20)7-5-9-19(21)29-2/h3-12,25H,1-2H3,(H,23,24)(H,26,27)
InChIKeyYVMMJKZIEINFDA-UHFFFAOYSA-N
MW389.41 g/mol
LogP5.24
Rot. Bonds5

About [2-methoxy-5-[(4-methoxyacridin-9-yl)amino]phenyl]carbamic acid

[2-methoxy-5-[(4-methoxyacridin-9-yl)amino]phenyl]carbamic acid (PubChem CID 91007171) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is [2-methoxy-5-[(4-methoxyacridin-9-yl)amino]phenyl]carbamic acid.

Molecular Properties

Compound Name[2-methoxy-5-[(4-methoxyacridin-9-yl)amino]phenyl]carbamic acid
PubChem CID91007171
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name[2-methoxy-5-[(4-methoxyacridin-9-yl)amino]phenyl]carbamic acid
SMILESCOc1ccc(Nc2c3ccccc3nc3c(OC)cccc23)cc1NC(=O)O
InChIInChI=1S/C22H19N3O4/c1-28-18-11-10-13(12-17(18)25-22(26)27)23-20-14-6-3-4-8-16(14)24-21-15(20)7-5-9-19(21)29-2/h3-12,25H,1-2H3,(H,23,24)(H,26,27)
InChIKeyYVMMJKZIEINFDA-UHFFFAOYSA-N
XLogP5.24
TPSA92.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.41
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(4-methoxyacridin-9-yl)amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 127037355
[5-[[4-[2-(dimethylamino)ethylcarbamoyl]-5-methoxyacridin-9-yl]amino]-2-methylphenyl]carbamic acid
CID 90811123
[5-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-9-yl]amino]-2-methylphenyl]carbamic acid
CID 91058936
4-N-acridin-9-yl-2-methoxy-1-N-methylbenzene-1,4-diamine
CID 10616345
[4-[bis(2-chloroethyl)amino]phenyl] N-[4-methoxy-3-[(4-methylacridin-9-yl)amino]phenyl]carbamate
CID 44570831
5-methoxy-N-(2-methoxyphenyl)-3-nitroacridin-9-amine
CID 10499695
1-N-[4-[2-[bis(2-chloroethyl)amino]ethoxy]acridin-9-yl]-4-methoxybenzene-1,3-diamine
CID 11685225
N-(3-chloro-4-methoxyphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 798258
2-[4-[(4-methylacridin-9-yl)amino]phenoxy]propanoic acid;hydrochloride
CID 90673846
9-[4-(acetylsulfamoyl)anilino]-N-hydroxy-5-methoxyacridin-3-amine oxide
CID 21143747
N-[4-methoxy-3-[[4-(trifluoromethyl)quinolin-2-yl]amino]phenyl]acetamide
CID 171779435
2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid
CID 5076484

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[(4-methoxyacridin-9-yl)amino]phenyl]carbamic acid?
The IUPAC name of [2-methoxy-5-[(4-methoxyacridin-9-yl)amino]phenyl]carbamic acid (CID 91007171) is [2-methoxy-5-[(4-methoxyacridin-9-yl)amino]phenyl]carbamic acid.
What is the SMILES notation for [2-methoxy-5-[(4-methoxyacridin-9-yl)amino]phenyl]carbamic acid?
The canonical SMILES for [2-methoxy-5-[(4-methoxyacridin-9-yl)amino]phenyl]carbamic acid is COc1ccc(Nc2c3ccccc3nc3c(OC)cccc23)cc1NC(=O)O.
What is the InChIKey of [2-methoxy-5-[(4-methoxyacridin-9-yl)amino]phenyl]carbamic acid?
The InChIKey is YVMMJKZIEINFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-28-18-11-10-13(12-17(18)25-22(26)27)23-20-14-6-3-4-8-16(14)24-21-15(20)7-5-9-19(21)29-2/h3-12,25H,1-2H3,(H,23,24)(H,26,27).
What are the key properties of [2-methoxy-5-[(4-methoxyacridin-9-yl)amino]phenyl]carbamic acid?
[2-methoxy-5-[(4-methoxyacridin-9-yl)amino]phenyl]carbamic acid has a molecular weight of 389.41 g/mol, XLogP of 5.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[(4-methoxyacridin-9-yl)amino]phenyl]carbamic acid is sourced from PubChem (CID 91007171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).