3,3-dimethyl-6-[[7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-yl]amino]-1H-indol-2-one

C28H25N7O — CID 24863843

IUPAC3,3-dimethyl-6-[[7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-yl]amino]-1H-indol-2-one
SMILESCNc1ncc2cc(-c3c(C)ccc4c(Nc5ccc6c(c5)NC(=O)C6(C)C)ncnc34)ccc2n1
InChIInChI=1S/C28H25N7O/c1-15-5-8-19-24(23(15)16-6-10-21-17(11-16)13-30-27(29-4)35-21)31-14-32-25(19)33-18-7-9-20-22(12-18)34-26(36)28(20,2)3/h5-14H,1-4H3,(H,34,36)(H,29,30,35)(H,31,32,33)
InChIKeyYRAACGHQWPNXDY-UHFFFAOYSA-N
MW475.56 g/mol
LogP5.56
Rot. Bonds4

About 3,3-dimethyl-6-[[7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-yl]amino]-1H-indol-2-one

3,3-dimethyl-6-[[7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-yl]amino]-1H-indol-2-one (PubChem CID 24863843) has the molecular formula C28H25N7O and a molecular weight of 475.56 g/mol. Its IUPAC name is 3,3-dimethyl-6-[[7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-yl]amino]-1H-indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-6-[[7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-yl]amino]-1H-indol-2-one
PubChem CID24863843
Molecular FormulaC28H25N7O
Molecular Weight475.56 g/mol
Exact Mass475.21
IUPAC Name3,3-dimethyl-6-[[7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-yl]amino]-1H-indol-2-one
SMILESCNc1ncc2cc(-c3c(C)ccc4c(Nc5ccc6c(c5)NC(=O)C6(C)C)ncnc34)ccc2n1
InChIInChI=1S/C28H25N7O/c1-15-5-8-19-24(23(15)16-6-10-21-17(11-16)13-30-27(29-4)35-21)31-14-32-25(19)33-18-7-9-20-22(12-18)34-26(36)28(20,2)3/h5-14H,1-4H3,(H,34,36)(H,29,30,35)(H,31,32,33)
InChIKeyYRAACGHQWPNXDY-UHFFFAOYSA-N
XLogP5.56
TPSA104.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.56
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3,3-dimethyl-6-[[7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-yl]amino]-1H-indol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-[[7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-yl]amino]-1H-indol-2-one?
The IUPAC name of 3,3-dimethyl-6-[[7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-yl]amino]-1H-indol-2-one (CID 24863843) is 3,3-dimethyl-6-[[7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-yl]amino]-1H-indol-2-one.
What is the SMILES notation for 3,3-dimethyl-6-[[7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-yl]amino]-1H-indol-2-one?
The canonical SMILES for 3,3-dimethyl-6-[[7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-yl]amino]-1H-indol-2-one is CNc1ncc2cc(-c3c(C)ccc4c(Nc5ccc6c(c5)NC(=O)C6(C)C)ncnc34)ccc2n1.
What is the InChIKey of 3,3-dimethyl-6-[[7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-yl]amino]-1H-indol-2-one?
The InChIKey is YRAACGHQWPNXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O/c1-15-5-8-19-24(23(15)16-6-10-21-17(11-16)13-30-27(29-4)35-21)31-14-32-25(19)33-18-7-9-20-22(12-18)34-26(36)28(20,2)3/h5-14H,1-4H3,(H,34,36)(H,29,30,35)(H,31,32,33).
What are the key properties of 3,3-dimethyl-6-[[7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-yl]amino]-1H-indol-2-one?
3,3-dimethyl-6-[[7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-yl]amino]-1H-indol-2-one has a molecular weight of 475.56 g/mol, XLogP of 5.56, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-[[7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-yl]amino]-1H-indol-2-one is sourced from PubChem (CID 24863843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).