4-chloro-2,6,6,7-tetramethylpyrrolo[3,4-g]quinazolin-8-one

C14H14ClN3O — CID 156547674

IUPAC4-chloro-2,6,6,7-tetramethylpyrrolo[3,4-g]quinazolin-8-one
SMILESCc1nc(Cl)c2cc3c(cc2n1)C(=O)N(C)C3(C)C
InChIInChI=1S/C14H14ClN3O/c1-7-16-11-6-8-10(5-9(11)12(15)17-7)14(2,3)18(4)13(8)19/h5-6H,1-4H3
InChIKeyCYIQXNJLRWXUNW-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.91
Rot. Bonds

About 4-chloro-2,6,6,7-tetramethylpyrrolo[3,4-g]quinazolin-8-one

4-chloro-2,6,6,7-tetramethylpyrrolo[3,4-g]quinazolin-8-one (PubChem CID 156547674) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-chloro-2,6,6,7-tetramethylpyrrolo[3,4-g]quinazolin-8-one.

Molecular Properties

Compound Name4-chloro-2,6,6,7-tetramethylpyrrolo[3,4-g]quinazolin-8-one
PubChem CID156547674
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name4-chloro-2,6,6,7-tetramethylpyrrolo[3,4-g]quinazolin-8-one
SMILESCc1nc(Cl)c2cc3c(cc2n1)C(=O)N(C)C3(C)C
InChIInChI=1S/C14H14ClN3O/c1-7-16-11-6-8-10(5-9(11)12(15)17-7)14(2,3)18(4)13(8)19/h5-6H,1-4H3
InChIKeyCYIQXNJLRWXUNW-UHFFFAOYSA-N
XLogP2.91
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6,6,7-tetramethylpyrrolo[3,4-g]quinazolin-8-one?
The IUPAC name of 4-chloro-2,6,6,7-tetramethylpyrrolo[3,4-g]quinazolin-8-one (CID 156547674) is 4-chloro-2,6,6,7-tetramethylpyrrolo[3,4-g]quinazolin-8-one.
What is the SMILES notation for 4-chloro-2,6,6,7-tetramethylpyrrolo[3,4-g]quinazolin-8-one?
The canonical SMILES for 4-chloro-2,6,6,7-tetramethylpyrrolo[3,4-g]quinazolin-8-one is Cc1nc(Cl)c2cc3c(cc2n1)C(=O)N(C)C3(C)C.
What is the InChIKey of 4-chloro-2,6,6,7-tetramethylpyrrolo[3,4-g]quinazolin-8-one?
The InChIKey is CYIQXNJLRWXUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-7-16-11-6-8-10(5-9(11)12(15)17-7)14(2,3)18(4)13(8)19/h5-6H,1-4H3.
What are the key properties of 4-chloro-2,6,6,7-tetramethylpyrrolo[3,4-g]quinazolin-8-one?
4-chloro-2,6,6,7-tetramethylpyrrolo[3,4-g]quinazolin-8-one has a molecular weight of 275.74 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6,6,7-tetramethylpyrrolo[3,4-g]quinazolin-8-one is sourced from PubChem (CID 156547674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).