3-(dimethylamino)-7-ethyl-2H-pyrrolo[3,2-f]quinazolin-1-one

C14H16N4O — CID 137249871

IUPAC3-(dimethylamino)-7-ethyl-2H-pyrrolo[3,2-f]quinazolin-1-one
SMILESCCn1ccc2c3c(=O)[nH]c(N(C)C)nc3ccc21
InChIInChI=1S/C14H16N4O/c1-4-18-8-7-9-11(18)6-5-10-12(9)13(19)16-14(15-10)17(2)3/h5-8H,4H2,1-3H3,(H,15,16,19)
InChIKeyOEMGVJKPXHSUDH-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.96
Rot. Bonds2

About 3-(dimethylamino)-7-ethyl-2H-pyrrolo[3,2-f]quinazolin-1-one

3-(dimethylamino)-7-ethyl-2H-pyrrolo[3,2-f]quinazolin-1-one (PubChem CID 137249871) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-(dimethylamino)-7-ethyl-2H-pyrrolo[3,2-f]quinazolin-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-7-ethyl-2H-pyrrolo[3,2-f]quinazolin-1-one
PubChem CID137249871
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3-(dimethylamino)-7-ethyl-2H-pyrrolo[3,2-f]quinazolin-1-one
SMILESCCn1ccc2c3c(=O)[nH]c(N(C)C)nc3ccc21
InChIInChI=1S/C14H16N4O/c1-4-18-8-7-9-11(18)6-5-10-12(9)13(19)16-14(15-10)17(2)3/h5-8H,4H2,1-3H3,(H,15,16,19)
InChIKeyOEMGVJKPXHSUDH-UHFFFAOYSA-N
XLogP1.96
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-7-ethyl-2H-pyrrolo[3,2-f]quinazolin-1-one?
The IUPAC name of 3-(dimethylamino)-7-ethyl-2H-pyrrolo[3,2-f]quinazolin-1-one (CID 137249871) is 3-(dimethylamino)-7-ethyl-2H-pyrrolo[3,2-f]quinazolin-1-one.
What is the SMILES notation for 3-(dimethylamino)-7-ethyl-2H-pyrrolo[3,2-f]quinazolin-1-one?
The canonical SMILES for 3-(dimethylamino)-7-ethyl-2H-pyrrolo[3,2-f]quinazolin-1-one is CCn1ccc2c3c(=O)[nH]c(N(C)C)nc3ccc21.
What is the InChIKey of 3-(dimethylamino)-7-ethyl-2H-pyrrolo[3,2-f]quinazolin-1-one?
The InChIKey is OEMGVJKPXHSUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-4-18-8-7-9-11(18)6-5-10-12(9)13(19)16-14(15-10)17(2)3/h5-8H,4H2,1-3H3,(H,15,16,19).
What are the key properties of 3-(dimethylamino)-7-ethyl-2H-pyrrolo[3,2-f]quinazolin-1-one?
3-(dimethylamino)-7-ethyl-2H-pyrrolo[3,2-f]quinazolin-1-one has a molecular weight of 256.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-7-ethyl-2H-pyrrolo[3,2-f]quinazolin-1-one is sourced from PubChem (CID 137249871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).