2-(3,4-dihydro-2H-quinolin-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

C15H16N4O — CID 136965752

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCCc3ccccc32)nc2c1CNC2
InChIInChI=1S/C15H16N4O/c20-14-11-8-16-9-12(11)17-15(18-14)19-7-3-5-10-4-1-2-6-13(10)19/h1-2,4,6,16H,3,5,7-9H2,(H,17,18,20)
InChIKeyNURLHQQGSICSES-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.46
Rot. Bonds1

About 2-(3,4-dihydro-2H-quinolin-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

2-(3,4-dihydro-2H-quinolin-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136965752) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136965752
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCCc3ccccc32)nc2c1CNC2
InChIInChI=1S/C15H16N4O/c20-14-11-8-16-9-12(11)17-15(18-14)19-7-3-5-10-4-1-2-6-13(10)19/h1-2,4,6,16H,3,5,7-9H2,(H,17,18,20)
InChIKeyNURLHQQGSICSES-UHFFFAOYSA-N
XLogP1.46
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dihydro-2H-quinolin-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,3-dihydroindol-1-yl)-3,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-4-one
CID 136965872
1-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3,4-dihydro-2H-quinoline
CID 81218105
2-chloro-4-(3,4-dihydro-2H-quinolin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 117102250
4-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 117101371
2-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135465153
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56888595
2-(3,4-dihydro-2H-quinolin-1-yl)-4-methoxy-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 117101372
2-chloro-4-(2,3-dihydroindol-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 117101759
4-(2,3-dihydroindol-1-yl)-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidine-2-thione
CID 117101634
1-(1H-indol-2-yl)-3,4-dihydro-2H-quinoline
CID 70171146
2-(2,3-dihydroindol-1-yl)-5-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135904323
ethane;1-phenyl-3,4-dihydro-2H-quinoline
CID 145126037

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 136965752) is 2-(3,4-dihydro-2H-quinolin-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is O=c1[nH]c(N2CCCc3ccccc32)nc2c1CNC2.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is NURLHQQGSICSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c20-14-11-8-16-9-12(11)17-15(18-14)19-7-3-5-10-4-1-2-6-13(10)19/h1-2,4,6,16H,3,5,7-9H2,(H,17,18,20).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-(3,4-dihydro-2H-quinolin-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 268.32 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136965752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).