tert-butyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate

C15H18N6O2 — CID 177334878

IUPACtert-butyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate
SMILESCC(C)(C)OC(=O)Nn1ccc2c3c(N)nc(N)nc3ccc21
InChIInChI=1S/C15H18N6O2/c1-15(2,3)23-14(22)20-21-7-6-8-10(21)5-4-9-11(8)12(16)19-13(17)18-9/h4-7H,1-3H3,(H,20,22)(H4,16,17,18,19)
InChIKeyDIZWGRRYJOIIAN-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.23
Rot. Bonds1

About tert-butyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate

tert-butyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate (PubChem CID 177334878) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is tert-butyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate
PubChem CID177334878
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Nametert-butyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate
SMILESCC(C)(C)OC(=O)Nn1ccc2c3c(N)nc(N)nc3ccc21
InChIInChI=1S/C15H18N6O2/c1-15(2,3)23-14(22)20-21-7-6-8-10(21)5-4-9-11(8)12(16)19-13(17)18-9/h4-7H,1-3H3,(H,20,22)(H4,16,17,18,19)
InChIKeyDIZWGRRYJOIIAN-UHFFFAOYSA-N
XLogP2.23
TPSA121.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate?
The IUPAC name of tert-butyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate (CID 177334878) is tert-butyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate?
The canonical SMILES for tert-butyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate is CC(C)(C)OC(=O)Nn1ccc2c3c(N)nc(N)nc3ccc21.
What is the InChIKey of tert-butyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate?
The InChIKey is DIZWGRRYJOIIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-15(2,3)23-14(22)20-21-7-6-8-10(21)5-4-9-11(8)12(16)19-13(17)18-9/h4-7H,1-3H3,(H,20,22)(H4,16,17,18,19).
What are the key properties of tert-butyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate?
tert-butyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate has a molecular weight of 314.35 g/mol, XLogP of 2.23, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,3-diaminopyrrolo[3,2-f]quinazolin-7-yl)carbamate is sourced from PubChem (CID 177334878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).