9',10'-dimethylspiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one

C23H18N4O — CID 2987541

IUPAC9',10'-dimethylspiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one
SMILESCc1cc2nc3n(c2cc1C)C1(Nc2ccccc2-3)C(=O)Nc2ccccc21
InChIInChI=1S/C23H18N4O/c1-13-11-19-20(12-14(13)2)27-21(24-19)15-7-3-5-9-17(15)26-23(27)16-8-4-6-10-18(16)25-22(23)28/h3-12,26H,1-2H3,(H,25,28)
InChIKeyMPKSPVKOSUKABI-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.40
Rot. Bonds

About 9',10'-dimethylspiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one

9',10'-dimethylspiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one (PubChem CID 2987541) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 9',10'-dimethylspiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one.

Molecular Properties

Compound Name9',10'-dimethylspiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one
PubChem CID2987541
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name9',10'-dimethylspiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one
SMILESCc1cc2nc3n(c2cc1C)C1(Nc2ccccc2-3)C(=O)Nc2ccccc21
InChIInChI=1S/C23H18N4O/c1-13-11-19-20(12-14(13)2)27-21(24-19)15-7-3-5-9-17(15)26-23(27)16-8-4-6-10-18(16)25-22(23)28/h3-12,26H,1-2H3,(H,25,28)
InChIKeyMPKSPVKOSUKABI-UHFFFAOYSA-N
XLogP4.40
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9',10'-dimethylspiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one?
The IUPAC name of 9',10'-dimethylspiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one (CID 2987541) is 9',10'-dimethylspiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one.
What is the SMILES notation for 9',10'-dimethylspiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one?
The canonical SMILES for 9',10'-dimethylspiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one is Cc1cc2nc3n(c2cc1C)C1(Nc2ccccc2-3)C(=O)Nc2ccccc21.
What is the InChIKey of 9',10'-dimethylspiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one?
The InChIKey is MPKSPVKOSUKABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-13-11-19-20(12-14(13)2)27-21(24-19)15-7-3-5-9-17(15)26-23(27)16-8-4-6-10-18(16)25-22(23)28/h3-12,26H,1-2H3,(H,25,28).
What are the key properties of 9',10'-dimethylspiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one?
9',10'-dimethylspiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one has a molecular weight of 366.42 g/mol, XLogP of 4.40, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9',10'-dimethylspiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one is sourced from PubChem (CID 2987541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).