(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-quinolin-8-ylmethanone

C18H16N4O — CID 56754940

IUPAC(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-quinolin-8-ylmethanone
SMILESCCc1ncc2c(n1)CN(C(=O)c1cccc3cccnc13)C2
InChIInChI=1S/C18H16N4O/c1-2-16-20-9-13-10-22(11-15(13)21-16)18(23)14-7-3-5-12-6-4-8-19-17(12)14/h3-9H,2,10-11H2,1H3
InChIKeyVPJNUDTWTRKRFS-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.74
Rot. Bonds2

About (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-quinolin-8-ylmethanone

(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-quinolin-8-ylmethanone (PubChem CID 56754940) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-quinolin-8-ylmethanone.

Molecular Properties

Compound Name(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-quinolin-8-ylmethanone
PubChem CID56754940
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-quinolin-8-ylmethanone
SMILESCCc1ncc2c(n1)CN(C(=O)c1cccc3cccnc13)C2
InChIInChI=1S/C18H16N4O/c1-2-16-20-9-13-10-22(11-15(13)21-16)18(23)14-7-3-5-12-6-4-8-19-17(12)14/h3-9H,2,10-11H2,1H3
InChIKeyVPJNUDTWTRKRFS-UHFFFAOYSA-N
XLogP2.74
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-quinolin-8-ylmethanone 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-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2-phenylphenyl)methanone
CID 56743916
[4-(ethylamino)piperidin-1-yl]-quinolin-8-ylmethanone
CID 62851096
(1-tert-butylpyrrol-3-yl)-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
CID 56760584
(2-ethoxyphenyl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 56753877
[4-(ethylaminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone
CID 119646450
2-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]benzonitrile
CID 56741221
[4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
CID 119562051
1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-pyrrol-1-ylbutan-1-one
CID 56744309
(2S)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-pyrazol-1-ylbutan-1-one
CID 95221648
(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 56750974
(4-aminopiperidin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119375001
2-(dimethylamino)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(3-methylphenyl)ethanone
CID 56759694

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-quinolin-8-ylmethanone?
The IUPAC name of (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-quinolin-8-ylmethanone (CID 56754940) is (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-quinolin-8-ylmethanone.
What is the SMILES notation for (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-quinolin-8-ylmethanone?
The canonical SMILES for (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-quinolin-8-ylmethanone is CCc1ncc2c(n1)CN(C(=O)c1cccc3cccnc13)C2.
What is the InChIKey of (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-quinolin-8-ylmethanone?
The InChIKey is VPJNUDTWTRKRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-2-16-20-9-13-10-22(11-15(13)21-16)18(23)14-7-3-5-12-6-4-8-19-17(12)14/h3-9H,2,10-11H2,1H3.
What are the key properties of (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-quinolin-8-ylmethanone?
(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-quinolin-8-ylmethanone has a molecular weight of 304.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-quinolin-8-ylmethanone is sourced from PubChem (CID 56754940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).