N-(6-benzyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine

C22H19N5 — CID 46196579

IUPACN-(6-benzyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine
SMILESc1ccc(CN2Cc3ncnc(Nc4cnc5ccccc5c4)c3C2)cc1
InChIInChI=1S/C22H19N5/c1-2-6-16(7-3-1)12-27-13-19-21(14-27)24-15-25-22(19)26-18-10-17-8-4-5-9-20(17)23-11-18/h1-11,15H,12-14H2,(H,24,25,26)
InChIKeyURLCMVOXBIWZSE-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.28
Rot. Bonds4

About N-(6-benzyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine

N-(6-benzyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine (PubChem CID 46196579) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(6-benzyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine.

Molecular Properties

Compound NameN-(6-benzyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine
PubChem CID46196579
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC NameN-(6-benzyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine
SMILESc1ccc(CN2Cc3ncnc(Nc4cnc5ccccc5c4)c3C2)cc1
InChIInChI=1S/C22H19N5/c1-2-6-16(7-3-1)12-27-13-19-21(14-27)24-15-25-22(19)26-18-10-17-8-4-5-9-20(17)23-11-18/h1-11,15H,12-14H2,(H,24,25,26)
InChIKeyURLCMVOXBIWZSE-UHFFFAOYSA-N
XLogP4.28
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-benzyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine?
The IUPAC name of N-(6-benzyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine (CID 46196579) is N-(6-benzyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine.
What is the SMILES notation for N-(6-benzyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine?
The canonical SMILES for N-(6-benzyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine is c1ccc(CN2Cc3ncnc(Nc4cnc5ccccc5c4)c3C2)cc1.
What is the InChIKey of N-(6-benzyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine?
The InChIKey is URLCMVOXBIWZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c1-2-6-16(7-3-1)12-27-13-19-21(14-27)24-15-25-22(19)26-18-10-17-8-4-5-9-20(17)23-11-18/h1-11,15H,12-14H2,(H,24,25,26).
What are the key properties of N-(6-benzyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine?
N-(6-benzyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine has a molecular weight of 353.43 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-benzyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)quinolin-3-amine is sourced from PubChem (CID 46196579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).