8-methoxy-5-methyl-1-(3-methylbutyl)-3-phenylpyrimido[5,4-b]indole-2,4-dione

C23H25N3O3 — CID 20914634

IUPAC8-methoxy-5-methyl-1-(3-methylbutyl)-3-phenylpyrimido[5,4-b]indole-2,4-dione
SMILESCOc1ccc2c(c1)c1c(c(=O)n(-c3ccccc3)c(=O)n1CCC(C)C)n2C
InChIInChI=1S/C23H25N3O3/c1-15(2)12-13-25-20-18-14-17(29-4)10-11-19(18)24(3)21(20)22(27)26(23(25)28)16-8-6-5-7-9-16/h5-11,14-15H,12-13H2,1-4H3
InChIKeyQBVDMYPRIHCRHF-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.70
Rot. Bonds5

About 8-methoxy-5-methyl-1-(3-methylbutyl)-3-phenylpyrimido[5,4-b]indole-2,4-dione

8-methoxy-5-methyl-1-(3-methylbutyl)-3-phenylpyrimido[5,4-b]indole-2,4-dione (PubChem CID 20914634) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 8-methoxy-5-methyl-1-(3-methylbutyl)-3-phenylpyrimido[5,4-b]indole-2,4-dione.

Molecular Properties

Compound Name8-methoxy-5-methyl-1-(3-methylbutyl)-3-phenylpyrimido[5,4-b]indole-2,4-dione
PubChem CID20914634
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name8-methoxy-5-methyl-1-(3-methylbutyl)-3-phenylpyrimido[5,4-b]indole-2,4-dione
SMILESCOc1ccc2c(c1)c1c(c(=O)n(-c3ccccc3)c(=O)n1CCC(C)C)n2C
InChIInChI=1S/C23H25N3O3/c1-15(2)12-13-25-20-18-14-17(29-4)10-11-19(18)24(3)21(20)22(27)26(23(25)28)16-8-6-5-7-9-16/h5-11,14-15H,12-13H2,1-4H3
InChIKeyQBVDMYPRIHCRHF-UHFFFAOYSA-N
XLogP3.70
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chlorophenyl)-8-methoxy-1-[(4-methoxyphenyl)methyl]-5-methylpyrimido[5,4-b]indole-2,4-dione
CID 20914586
1-[(2-chlorophenyl)methyl]-8-methoxy-5-methyl-3-(4-methylphenyl)pyrimido[5,4-b]indole-2,4-dione
CID 20914504
2-[8-methoxy-5-methyl-3-(4-methylphenyl)-2,4-dioxopyrimido[5,4-b]indol-1-yl]-N,N-dipropylacetamide
CID 22424017
8-methoxy-5-methyl-3-(3-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimido[5,4-b]indole-2,4-dione
CID 20914568
N-(3,5-dimethylphenyl)-2-[8-methoxy-5-methyl-3-(4-methylphenyl)-2,4-dioxopyrimido[5,4-b]indol-1-yl]acetamide
CID 20914528
1-[(4-fluorophenyl)methyl]-5,8-dimethyl-3-phenylpyrimido[5,4-b]indole-2,4-dione
CID 20914460
3-(3-chlorophenyl)-5,8-dimethyl-1-propylpyrimido[5,4-b]indole-2,4-dione
CID 20914425
2-(5,8-dimethyl-2,4-dioxo-3-phenylpyrimido[5,4-b]indol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 20914467
2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxopyrimido[5,4-b]indol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 46276528
2-(5,8-dimethyl-2,4-dioxo-3-phenylpyrimido[5,4-b]indol-1-yl)-N-(4-ethylphenyl)acetamide
CID 20914453
N-[2-hydroxy-5-methoxy-1-(3-methylbutyl)indol-3-yl]iminobenzamide
CID 4507272
2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117262736

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-methyl-1-(3-methylbutyl)-3-phenylpyrimido[5,4-b]indole-2,4-dione?
The IUPAC name of 8-methoxy-5-methyl-1-(3-methylbutyl)-3-phenylpyrimido[5,4-b]indole-2,4-dione (CID 20914634) is 8-methoxy-5-methyl-1-(3-methylbutyl)-3-phenylpyrimido[5,4-b]indole-2,4-dione.
What is the SMILES notation for 8-methoxy-5-methyl-1-(3-methylbutyl)-3-phenylpyrimido[5,4-b]indole-2,4-dione?
The canonical SMILES for 8-methoxy-5-methyl-1-(3-methylbutyl)-3-phenylpyrimido[5,4-b]indole-2,4-dione is COc1ccc2c(c1)c1c(c(=O)n(-c3ccccc3)c(=O)n1CCC(C)C)n2C.
What is the InChIKey of 8-methoxy-5-methyl-1-(3-methylbutyl)-3-phenylpyrimido[5,4-b]indole-2,4-dione?
The InChIKey is QBVDMYPRIHCRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15(2)12-13-25-20-18-14-17(29-4)10-11-19(18)24(3)21(20)22(27)26(23(25)28)16-8-6-5-7-9-16/h5-11,14-15H,12-13H2,1-4H3.
What are the key properties of 8-methoxy-5-methyl-1-(3-methylbutyl)-3-phenylpyrimido[5,4-b]indole-2,4-dione?
8-methoxy-5-methyl-1-(3-methylbutyl)-3-phenylpyrimido[5,4-b]indole-2,4-dione has a molecular weight of 391.47 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-methyl-1-(3-methylbutyl)-3-phenylpyrimido[5,4-b]indole-2,4-dione is sourced from PubChem (CID 20914634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).