1-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)-2-methylpropan-1-one

C14H15N5O — CID 86581695

IUPAC1-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)n1ccc2c3c(N)nc(N)nc3ccc21
InChIInChI=1S/C14H15N5O/c1-7(2)13(20)19-6-5-8-10(19)4-3-9-11(8)12(15)18-14(16)17-9/h3-7H,1-2H3,(H4,15,16,17,18)
InChIKeyULZXTNAJUOODGN-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.05
Rot. Bonds1

About 1-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)-2-methylpropan-1-one

1-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)-2-methylpropan-1-one (PubChem CID 86581695) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)-2-methylpropan-1-one
PubChem CID86581695
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name1-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)n1ccc2c3c(N)nc(N)nc3ccc21
InChIInChI=1S/C14H15N5O/c1-7(2)13(20)19-6-5-8-10(19)4-3-9-11(8)12(15)18-14(16)17-9/h3-7H,1-2H3,(H4,15,16,17,18)
InChIKeyULZXTNAJUOODGN-UHFFFAOYSA-N
XLogP2.05
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)-2-methylpropan-1-one (CID 86581695) is 1-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)-2-methylpropan-1-one is CC(C)C(=O)n1ccc2c3c(N)nc(N)nc3ccc21.
What is the InChIKey of 1-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)-2-methylpropan-1-one?
The InChIKey is ULZXTNAJUOODGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-7(2)13(20)19-6-5-8-10(19)4-3-9-11(8)12(15)18-14(16)17-9/h3-7H,1-2H3,(H4,15,16,17,18).
What are the key properties of 1-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)-2-methylpropan-1-one?
1-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)-2-methylpropan-1-one has a molecular weight of 269.31 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)-2-methylpropan-1-one is sourced from PubChem (CID 86581695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).