acridine;1,3-benzothiazole;1,3-benzoxazole;9H-carbazole;cinnoline;isoquinoline;1,8-naphthyridine;phenazine;phthalazine;pteridine;quinazoline;quinoxaline

C106H77N21OS — CID 161318673

IUPACacridine;1,3-benzothiazole;1,3-benzoxazole;9H-carbazole;cinnoline;isoquinoline;1,8-naphthyridine;phenazine;phthalazine;pteridine;quinazoline;quinoxaline
SMILESc1ccc2c(c1)[nH]c1ccccc12.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2nc3ccccc3nc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1cnc2ncccc2c1.c1cnc2ncncc2n1
InChIInChI=1S/C13H9N.C12H8N2.C12H9N.C9H7N.5C8H6N2.C7H5NO.C7H5NS.C6H4N4/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;2*1-2-4-7-6(3-1)8-5-9-7;1-2-9-6-5(8-1)3-7-4-10-6/h1-9H;1-8H;1-8,13H;1-7H;5*1-6H;2*1-5H;1-4H
InChIKeyVJVOPESPJWLOPQ-UHFFFAOYSA-N
MW1692.99 g/mol
LogP24.42
Rot. Bonds

About acridine;1,3-benzothiazole;1,3-benzoxazole;9H-carbazole;cinnoline;isoquinoline;1,8-naphthyridine;phenazine;phthalazine;pteridine;quinazoline;quinoxaline

acridine;1,3-benzothiazole;1,3-benzoxazole;9H-carbazole;cinnoline;isoquinoline;1,8-naphthyridine;phenazine;phthalazine;pteridine;quinazoline;quinoxaline (PubChem CID 161318673) has the molecular formula C106H77N21OS and a molecular weight of 1692.99 g/mol. Its IUPAC name is acridine;1,3-benzothiazole;1,3-benzoxazole;9H-carbazole;cinnoline;isoquinoline;1,8-naphthyridine;phenazine;phthalazine;pteridine;quinazoline;quinoxaline.

Molecular Properties

Compound Nameacridine;1,3-benzothiazole;1,3-benzoxazole;9H-carbazole;cinnoline;isoquinoline;1,8-naphthyridine;phenazine;phthalazine;pteridine;quinazoline;quinoxaline
PubChem CID161318673
Molecular FormulaC106H77N21OS
Molecular Weight1692.99 g/mol
Exact Mass1691.63
IUPAC Nameacridine;1,3-benzothiazole;1,3-benzoxazole;9H-carbazole;cinnoline;isoquinoline;1,8-naphthyridine;phenazine;phthalazine;pteridine;quinazoline;quinoxaline
SMILESc1ccc2c(c1)[nH]c1ccccc12.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2nc3ccccc3nc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1cnc2ncccc2c1.c1cnc2ncncc2n1
InChIInChI=1S/C13H9N.C12H8N2.C12H9N.C9H7N.5C8H6N2.C7H5NO.C7H5NS.C6H4N4/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;2*1-2-4-7-6(3-1)8-5-9-7;1-2-9-6-5(8-1)3-7-4-10-6/h1-9H;1-8H;1-8,13H;1-7H;5*1-6H;2*1-5H;1-4H
InChIKeyVJVOPESPJWLOPQ-UHFFFAOYSA-N
XLogP24.42
TPSA286.73 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001692.99
LogP ≤ 524.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze acridine;1,3-benzothiazole;1,3-benzoxazole;9H-carbazole;cinnoline;isoquinoline;1,8-naphthyridine;phenazine;phthalazine;pteridine;quinazoline;quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acridine;1,3-benzothiazole;1,3-benzoxazole;9H-carbazole;cinnoline;isoquinoline;1,8-naphthyridine;phenazine;phthalazine;pteridine;quinazoline;quinoxaline?
The IUPAC name of acridine;1,3-benzothiazole;1,3-benzoxazole;9H-carbazole;cinnoline;isoquinoline;1,8-naphthyridine;phenazine;phthalazine;pteridine;quinazoline;quinoxaline (CID 161318673) is acridine;1,3-benzothiazole;1,3-benzoxazole;9H-carbazole;cinnoline;isoquinoline;1,8-naphthyridine;phenazine;phthalazine;pteridine;quinazoline;quinoxaline.
What is the SMILES notation for acridine;1,3-benzothiazole;1,3-benzoxazole;9H-carbazole;cinnoline;isoquinoline;1,8-naphthyridine;phenazine;phthalazine;pteridine;quinazoline;quinoxaline?
The canonical SMILES for acridine;1,3-benzothiazole;1,3-benzoxazole;9H-carbazole;cinnoline;isoquinoline;1,8-naphthyridine;phenazine;phthalazine;pteridine;quinazoline;quinoxaline is c1ccc2c(c1)[nH]c1ccccc12.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2nc3ccccc3cc2c1.c1ccc2nc3ccccc3nc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1cnc2ncccc2c1.c1cnc2ncncc2n1.
What is the InChIKey of acridine;1,3-benzothiazole;1,3-benzoxazole;9H-carbazole;cinnoline;isoquinoline;1,8-naphthyridine;phenazine;phthalazine;pteridine;quinazoline;quinoxaline?
The InChIKey is VJVOPESPJWLOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N.C12H8N2.C12H9N.C9H7N.5C8H6N2.C7H5NO.C7H5NS.C6H4N4/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;2*1-2-4-7-6(3-1)8-5-9-7;1-2-9-6-5(8-1)3-7-4-10-6/h1-9H;1-8H;1-8,13H;1-7H;5*1-6H;2*1-5H;1-4H.
What are the key properties of acridine;1,3-benzothiazole;1,3-benzoxazole;9H-carbazole;cinnoline;isoquinoline;1,8-naphthyridine;phenazine;phthalazine;pteridine;quinazoline;quinoxaline?
acridine;1,3-benzothiazole;1,3-benzoxazole;9H-carbazole;cinnoline;isoquinoline;1,8-naphthyridine;phenazine;phthalazine;pteridine;quinazoline;quinoxaline has a molecular weight of 1692.99 g/mol, XLogP of 24.42, 0 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for acridine;1,3-benzothiazole;1,3-benzoxazole;9H-carbazole;cinnoline;isoquinoline;1,8-naphthyridine;phenazine;phthalazine;pteridine;quinazoline;quinoxaline is sourced from PubChem (CID 161318673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).