1'-benzyl-5'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one

C30H24N4O — CID 5024463

IUPAC1'-benzyl-5'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one
SMILESCCc1ccc2c(c1)C1(Nc3ccccc3-c3nc4ccccc4n31)C(=O)N2Cc1ccccc1
InChIInChI=1S/C30H24N4O/c1-2-20-16-17-26-23(18-20)30(29(35)33(26)19-21-10-4-3-5-11-21)32-24-13-7-6-12-22(24)28-31-25-14-8-9-15-27(25)34(28)30/h3-18,32H,2,19H2,1H3
InChIKeyGMEJGBPCQKIHCJ-UHFFFAOYSA-N
MW456.55 g/mol
LogP5.94
Rot. Bonds3

About 1'-benzyl-5'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one

1'-benzyl-5'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one (PubChem CID 5024463) has the molecular formula C30H24N4O and a molecular weight of 456.55 g/mol. Its IUPAC name is 1'-benzyl-5'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-benzyl-5'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one
PubChem CID5024463
Molecular FormulaC30H24N4O
Molecular Weight456.55 g/mol
Exact Mass456.20
IUPAC Name1'-benzyl-5'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one
SMILESCCc1ccc2c(c1)C1(Nc3ccccc3-c3nc4ccccc4n31)C(=O)N2Cc1ccccc1
InChIInChI=1S/C30H24N4O/c1-2-20-16-17-26-23(18-20)30(29(35)33(26)19-21-10-4-3-5-11-21)32-24-13-7-6-12-22(24)28-31-25-14-8-9-15-27(25)34(28)30/h3-18,32H,2,19H2,1H3
InChIKeyGMEJGBPCQKIHCJ-UHFFFAOYSA-N
XLogP5.94
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1'-benzyl-5'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one with MolForge

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

Launch Full Analysis

Related Compounds

5'-bromo-1'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one
CID 3578642
5-fluorospiro[1H-indole-3,6'-5H-benzimidazolo[1,2-c]quinazoline]-2-one
CID 4224608
(2R)-3-benzyl-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 41457150
(2R)-1'-benzyl-3-(2-methoxyethyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 52512911
11-benzyl-3-methyl-1'-[(4-methylphenyl)methyl]spiro[5H-indolo[3,2-c]quinoline-6,3'-indole]-2'-one
CID 165178126
(2R)-1'-benzyl-7'-methylspiro[1,3-dihydroquinazoline-2,3'-indole]-2',4-dione
CID 102222382
1-benzyl-3-ethylquinoxalin-2-one
CID 91739681
ethyl 1-benzyl-4-(3-chlorophenyl)-2-oxo-3,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 43854425
(2S)-3-benzyl-2-ethyl-2-methyl-1H-quinazolin-4-one
CID 29102769
2-amino-1'-ethyl-5'-methylspiro[1H-[1,3,5]triazino[1,2-a]benzimidazole-4,3'-indole]-2'-one
CID 135616501
(2R)-3-[(4-methoxyphenyl)methyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 95881455
(2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 1045960

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-5'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one?
The IUPAC name of 1'-benzyl-5'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one (CID 5024463) is 1'-benzyl-5'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one.
What is the SMILES notation for 1'-benzyl-5'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one?
The canonical SMILES for 1'-benzyl-5'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one is CCc1ccc2c(c1)C1(Nc3ccccc3-c3nc4ccccc4n31)C(=O)N2Cc1ccccc1.
What is the InChIKey of 1'-benzyl-5'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one?
The InChIKey is GMEJGBPCQKIHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O/c1-2-20-16-17-26-23(18-20)30(29(35)33(26)19-21-10-4-3-5-11-21)32-24-13-7-6-12-22(24)28-31-25-14-8-9-15-27(25)34(28)30/h3-18,32H,2,19H2,1H3.
What are the key properties of 1'-benzyl-5'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one?
1'-benzyl-5'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one has a molecular weight of 456.55 g/mol, XLogP of 5.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-5'-ethylspiro[5H-benzimidazolo[1,2-c]quinazoline-6,3'-indole]-2'-one is sourced from PubChem (CID 5024463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).