N-[9-[4-(methanesulfonamido)-2-methoxyanilino]acridin-3-yl]acetamide;hydrochloride

C23H23ClN4O4S — CID 3042456

IUPACN-[9-[4-(methanesulfonamido)-2-methoxyanilino]acridin-3-yl]acetamide;hydrochloride
SMILESCOc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(NC(C)=O)ccc12.Cl
InChIInChI=1S/C23H22N4O4S.ClH/c1-14(28)24-15-8-10-18-21(12-15)25-19-7-5-4-6-17(19)23(18)26-20-11-9-16(13-22(20)31-2)27-32(3,29)30;/h4-13,27H,1-3H3,(H,24,28)(H,25,26);1H
InChIKeyMQKCXXPRDJTYNV-UHFFFAOYSA-N
MW486.98 g/mol
LogP4.89
Rot. Bonds6

About N-[9-[4-(methanesulfonamido)-2-methoxyanilino]acridin-3-yl]acetamide;hydrochloride

N-[9-[4-(methanesulfonamido)-2-methoxyanilino]acridin-3-yl]acetamide;hydrochloride (PubChem CID 3042456) has the molecular formula C23H23ClN4O4S and a molecular weight of 486.98 g/mol. Its IUPAC name is N-[9-[4-(methanesulfonamido)-2-methoxyanilino]acridin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[9-[4-(methanesulfonamido)-2-methoxyanilino]acridin-3-yl]acetamide;hydrochloride
PubChem CID3042456
Molecular FormulaC23H23ClN4O4S
Molecular Weight486.98 g/mol
Exact Mass486.11
IUPAC NameN-[9-[4-(methanesulfonamido)-2-methoxyanilino]acridin-3-yl]acetamide;hydrochloride
SMILESCOc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(NC(C)=O)ccc12.Cl
InChIInChI=1S/C23H22N4O4S.ClH/c1-14(28)24-15-8-10-18-21(12-15)25-19-7-5-4-6-17(19)23(18)26-20-11-9-16(13-22(20)31-2)27-32(3,29)30;/h4-13,27H,1-3H3,(H,24,28)(H,25,26);1H
InChIKeyMQKCXXPRDJTYNV-UHFFFAOYSA-N
XLogP4.89
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.98
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-[9-[4-(methanesulfonamido)-2-methoxyanilino]acridin-3-yl]acetamide;hydrochloride?
The IUPAC name of N-[9-[4-(methanesulfonamido)-2-methoxyanilino]acridin-3-yl]acetamide;hydrochloride (CID 3042456) is N-[9-[4-(methanesulfonamido)-2-methoxyanilino]acridin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[9-[4-(methanesulfonamido)-2-methoxyanilino]acridin-3-yl]acetamide;hydrochloride?
The canonical SMILES for N-[9-[4-(methanesulfonamido)-2-methoxyanilino]acridin-3-yl]acetamide;hydrochloride is COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(NC(C)=O)ccc12.Cl.
What is the InChIKey of N-[9-[4-(methanesulfonamido)-2-methoxyanilino]acridin-3-yl]acetamide;hydrochloride?
The InChIKey is MQKCXXPRDJTYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S.ClH/c1-14(28)24-15-8-10-18-21(12-15)25-19-7-5-4-6-17(19)23(18)26-20-11-9-16(13-22(20)31-2)27-32(3,29)30;/h4-13,27H,1-3H3,(H,24,28)(H,25,26);1H.
What are the key properties of N-[9-[4-(methanesulfonamido)-2-methoxyanilino]acridin-3-yl]acetamide;hydrochloride?
N-[9-[4-(methanesulfonamido)-2-methoxyanilino]acridin-3-yl]acetamide;hydrochloride has a molecular weight of 486.98 g/mol, XLogP of 4.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[4-(methanesulfonamido)-2-methoxyanilino]acridin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 3042456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).