N-[6-(2-phenylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine

C24H23N5 — CID 58478372

IUPACN-[6-(2-phenylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine
SMILESCC(CN1Cc2ncnc(Nc3cnc4ccccc4c3)c2C1)c1ccccc1
InChIInChI=1S/C24H23N5/c1-17(18-7-3-2-4-8-18)13-29-14-21-23(15-29)26-16-27-24(21)28-20-11-19-9-5-6-10-22(19)25-12-20/h2-12,16-17H,13-15H2,1H3,(H,26,27,28)
InChIKeyVZXCBUPBKYCWKB-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.89
Rot. Bonds5

About N-[6-(2-phenylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine

N-[6-(2-phenylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine (PubChem CID 58478372) has the molecular formula C24H23N5 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[6-(2-phenylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine.

Molecular Properties

Compound NameN-[6-(2-phenylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine
PubChem CID58478372
Molecular FormulaC24H23N5
Molecular Weight381.48 g/mol
Exact Mass381.20
IUPAC NameN-[6-(2-phenylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine
SMILESCC(CN1Cc2ncnc(Nc3cnc4ccccc4c3)c2C1)c1ccccc1
InChIInChI=1S/C24H23N5/c1-17(18-7-3-2-4-8-18)13-29-14-21-23(15-29)26-16-27-24(21)28-20-11-19-9-5-6-10-22(19)25-12-20/h2-12,16-17H,13-15H2,1H3,(H,26,27,28)
InChIKeyVZXCBUPBKYCWKB-UHFFFAOYSA-N
XLogP4.89
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-phenylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine?
The IUPAC name of N-[6-(2-phenylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine (CID 58478372) is N-[6-(2-phenylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine.
What is the SMILES notation for N-[6-(2-phenylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine?
The canonical SMILES for N-[6-(2-phenylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine is CC(CN1Cc2ncnc(Nc3cnc4ccccc4c3)c2C1)c1ccccc1.
What is the InChIKey of N-[6-(2-phenylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine?
The InChIKey is VZXCBUPBKYCWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5/c1-17(18-7-3-2-4-8-18)13-29-14-21-23(15-29)26-16-27-24(21)28-20-11-19-9-5-6-10-22(19)25-12-20/h2-12,16-17H,13-15H2,1H3,(H,26,27,28).
What are the key properties of N-[6-(2-phenylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine?
N-[6-(2-phenylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine has a molecular weight of 381.48 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-phenylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]quinolin-3-amine is sourced from PubChem (CID 58478372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).