6-N-piperidin-4-yl-[1,3]dioxolo[4,5-g]quinazoline-6,8-diamine

C14H17N5O2 — CID 58972457

IUPAC6-N-piperidin-4-yl-[1,3]dioxolo[4,5-g]quinazoline-6,8-diamine
SMILESNc1nc(NC2CCNCC2)nc2cc3c(cc12)OCO3
InChIInChI=1S/C14H17N5O2/c15-13-9-5-11-12(21-7-20-11)6-10(9)18-14(19-13)17-8-1-3-16-4-2-8/h5-6,8,16H,1-4,7H2,(H3,15,17,18,19)
InChIKeyRCGGKCIIFSGFMY-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.10
Rot. Bonds2

About 6-N-piperidin-4-yl-[1,3]dioxolo[4,5-g]quinazoline-6,8-diamine

6-N-piperidin-4-yl-[1,3]dioxolo[4,5-g]quinazoline-6,8-diamine (PubChem CID 58972457) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 6-N-piperidin-4-yl-[1,3]dioxolo[4,5-g]quinazoline-6,8-diamine.

Molecular Properties

Compound Name6-N-piperidin-4-yl-[1,3]dioxolo[4,5-g]quinazoline-6,8-diamine
PubChem CID58972457
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name6-N-piperidin-4-yl-[1,3]dioxolo[4,5-g]quinazoline-6,8-diamine
SMILESNc1nc(NC2CCNCC2)nc2cc3c(cc12)OCO3
InChIInChI=1S/C14H17N5O2/c15-13-9-5-11-12(21-7-20-11)6-10(9)18-14(19-13)17-8-1-3-16-4-2-8/h5-6,8,16H,1-4,7H2,(H3,15,17,18,19)
InChIKeyRCGGKCIIFSGFMY-UHFFFAOYSA-N
XLogP1.10
TPSA94.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-N-piperidin-4-yl-[1,3]dioxolo[4,5-g]quinazoline-6,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-piperidin-4-yl-[1,3]dioxolo[4,5-g]quinazoline-6,8-diamine?
The IUPAC name of 6-N-piperidin-4-yl-[1,3]dioxolo[4,5-g]quinazoline-6,8-diamine (CID 58972457) is 6-N-piperidin-4-yl-[1,3]dioxolo[4,5-g]quinazoline-6,8-diamine.
What is the SMILES notation for 6-N-piperidin-4-yl-[1,3]dioxolo[4,5-g]quinazoline-6,8-diamine?
The canonical SMILES for 6-N-piperidin-4-yl-[1,3]dioxolo[4,5-g]quinazoline-6,8-diamine is Nc1nc(NC2CCNCC2)nc2cc3c(cc12)OCO3.
What is the InChIKey of 6-N-piperidin-4-yl-[1,3]dioxolo[4,5-g]quinazoline-6,8-diamine?
The InChIKey is RCGGKCIIFSGFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c15-13-9-5-11-12(21-7-20-11)6-10(9)18-14(19-13)17-8-1-3-16-4-2-8/h5-6,8,16H,1-4,7H2,(H3,15,17,18,19).
What are the key properties of 6-N-piperidin-4-yl-[1,3]dioxolo[4,5-g]quinazoline-6,8-diamine?
6-N-piperidin-4-yl-[1,3]dioxolo[4,5-g]quinazoline-6,8-diamine has a molecular weight of 287.32 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-piperidin-4-yl-[1,3]dioxolo[4,5-g]quinazoline-6,8-diamine is sourced from PubChem (CID 58972457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).