10H-acridin-9-one;2-methylquinoline;naphthalene-1-sulfonic acid

C33H26N2O4S — CID 174480107

IUPAC10H-acridin-9-one;2-methylquinoline;naphthalene-1-sulfonic acid
SMILESCc1ccc2ccccc2n1.O=S(=O)(O)c1cccc2ccccc12.O=c1c2ccccc2[nH]c2ccccc12
InChIInChI=1S/C13H9NO.C10H9N.C10H8O3S/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13;1-8-6-7-9-4-2-3-5-10(9)11-8;11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-8H,(H,14,15);2-7H,1H3;1-7H,(H,11,12,13)
InChIKeyVGKKTNGDBGZJKU-UHFFFAOYSA-N
MW546.65 g/mol
LogP7.31
Rot. Bonds1

About 10H-acridin-9-one;2-methylquinoline;naphthalene-1-sulfonic acid

10H-acridin-9-one;2-methylquinoline;naphthalene-1-sulfonic acid (PubChem CID 174480107) has the molecular formula C33H26N2O4S and a molecular weight of 546.65 g/mol. Its IUPAC name is 10H-acridin-9-one;2-methylquinoline;naphthalene-1-sulfonic acid.

Molecular Properties

Compound Name10H-acridin-9-one;2-methylquinoline;naphthalene-1-sulfonic acid
PubChem CID174480107
Molecular FormulaC33H26N2O4S
Molecular Weight546.65 g/mol
Exact Mass546.16
IUPAC Name10H-acridin-9-one;2-methylquinoline;naphthalene-1-sulfonic acid
SMILESCc1ccc2ccccc2n1.O=S(=O)(O)c1cccc2ccccc12.O=c1c2ccccc2[nH]c2ccccc12
InChIInChI=1S/C13H9NO.C10H9N.C10H8O3S/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13;1-8-6-7-9-4-2-3-5-10(9)11-8;11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-8H,(H,14,15);2-7H,1H3;1-7H,(H,11,12,13)
InChIKeyVGKKTNGDBGZJKU-UHFFFAOYSA-N
XLogP7.31
TPSA100.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.65
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

10H-acridin-9-one;2-methylquinoline;naphthalene-2-sulfonic acid
CID 174407426
naphthalene-1-sulfonic acid
CID 158712346
methanamine;naphthalene-1-sulfonic acid
CID 174421353
CID 87877281
CID 87877281
aluminum naphthalene-1-sulfonic acid
CID 19753639
naphthalene-1-sulfonic acid;2H-triazole
CID 122441144
naphthalene-1-sulfonic acid;propan-2-one
CID 159625116
lithium;hydride;naphthalene-1-sulfonic acid;hydrate
CID 173436914
potassium;hydride;naphthalene-1-sulfonic acid
CID 173036389
bis(2-methylprop-1-ene);naphthalene-1-sulfonic acid
CID 87267180
disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid
CID 174856610
CID 87599032
CID 87599032

Frequently Asked Questions

What is the IUPAC name of 10H-acridin-9-one;2-methylquinoline;naphthalene-1-sulfonic acid?
The IUPAC name of 10H-acridin-9-one;2-methylquinoline;naphthalene-1-sulfonic acid (CID 174480107) is 10H-acridin-9-one;2-methylquinoline;naphthalene-1-sulfonic acid.
What is the SMILES notation for 10H-acridin-9-one;2-methylquinoline;naphthalene-1-sulfonic acid?
The canonical SMILES for 10H-acridin-9-one;2-methylquinoline;naphthalene-1-sulfonic acid is Cc1ccc2ccccc2n1.O=S(=O)(O)c1cccc2ccccc12.O=c1c2ccccc2[nH]c2ccccc12.
What is the InChIKey of 10H-acridin-9-one;2-methylquinoline;naphthalene-1-sulfonic acid?
The InChIKey is VGKKTNGDBGZJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO.C10H9N.C10H8O3S/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13;1-8-6-7-9-4-2-3-5-10(9)11-8;11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-8H,(H,14,15);2-7H,1H3;1-7H,(H,11,12,13).
What are the key properties of 10H-acridin-9-one;2-methylquinoline;naphthalene-1-sulfonic acid?
10H-acridin-9-one;2-methylquinoline;naphthalene-1-sulfonic acid has a molecular weight of 546.65 g/mol, XLogP of 7.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-acridin-9-one;2-methylquinoline;naphthalene-1-sulfonic acid is sourced from PubChem (CID 174480107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).