(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-quinoxalin-2-ylmethanone

C16H14N6O — CID 69266782

IUPAC(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-quinoxalin-2-ylmethanone
SMILESNc1ncnc2c1CCN(C(=O)c1cnc3ccccc3n1)C2
InChIInChI=1S/C16H14N6O/c17-15-10-5-6-22(8-14(10)19-9-20-15)16(23)13-7-18-11-3-1-2-4-12(11)21-13/h1-4,7,9H,5-6,8H2,(H2,17,19,20)
InChIKeyMIIINHFLGFOQQT-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.20
Rot. Bonds1

About (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-quinoxalin-2-ylmethanone

(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-quinoxalin-2-ylmethanone (PubChem CID 69266782) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-quinoxalin-2-ylmethanone
PubChem CID69266782
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-quinoxalin-2-ylmethanone
SMILESNc1ncnc2c1CCN(C(=O)c1cnc3ccccc3n1)C2
InChIInChI=1S/C16H14N6O/c17-15-10-5-6-22(8-14(10)19-9-20-15)16(23)13-7-18-11-3-1-2-4-12(11)21-13/h1-4,7,9H,5-6,8H2,(H2,17,19,20)
InChIKeyMIIINHFLGFOQQT-UHFFFAOYSA-N
XLogP1.20
TPSA97.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-quinoxalin-2-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

(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2-chlorophenyl)methanone
CID 69269263
1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2,2-diphenylethanone
CID 69269436
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4-ethylphenyl)methanone
CID 69268412
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(3-methoxyphenyl)methanone
CID 69267728
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 69271185
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylmethoxyethanone
CID 69269067
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 69330305
[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 122341994
[4-(dimethylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-quinoxalin-2-ylmethanone
CID 42870808
(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629638
(3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone
CID 103727060

Frequently Asked Questions

What is the IUPAC name of (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-quinoxalin-2-ylmethanone?
The IUPAC name of (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-quinoxalin-2-ylmethanone (CID 69266782) is (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-quinoxalin-2-ylmethanone.
What is the SMILES notation for (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-quinoxalin-2-ylmethanone?
The canonical SMILES for (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-quinoxalin-2-ylmethanone is Nc1ncnc2c1CCN(C(=O)c1cnc3ccccc3n1)C2.
What is the InChIKey of (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-quinoxalin-2-ylmethanone?
The InChIKey is MIIINHFLGFOQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c17-15-10-5-6-22(8-14(10)19-9-20-15)16(23)13-7-18-11-3-1-2-4-12(11)21-13/h1-4,7,9H,5-6,8H2,(H2,17,19,20).
What are the key properties of (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-quinoxalin-2-ylmethanone?
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-quinoxalin-2-ylmethanone has a molecular weight of 306.33 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-quinoxalin-2-ylmethanone is sourced from PubChem (CID 69266782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).