7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2-ethoxyphenyl)methanone

C16H17N3O2 — CID 72719396

IUPAC7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1CCc2ncncc2C1
InChIInChI=1S/C16H17N3O2/c1-2-21-15-6-4-3-5-13(15)16(20)19-8-7-14-12(10-19)9-17-11-18-14/h3-6,9,11H,2,7-8,10H2,1H3
InChIKeyZSNYVXDRLMJOQI-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.07
Rot. Bonds3

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

7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2-ethoxyphenyl)methanone (PubChem CID 72719396) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2-ethoxyphenyl)methanone
PubChem CID72719396
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1CCc2ncncc2C1
InChIInChI=1S/C16H17N3O2/c1-2-21-15-6-4-3-5-13(15)16(20)19-8-7-14-12(10-19)9-17-11-18-14/h3-6,9,11H,2,7-8,10H2,1H3
InChIKeyZSNYVXDRLMJOQI-UHFFFAOYSA-N
XLogP2.07
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2-ethoxyphenyl)methanone with MolForge

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Related Compounds

Sun 8399
CID 131339
1-[4-[4-Amino-5-(2-ethoxybenzoyl)pyrimidin-2-ylamino]piperidin-1-yl]ethanone
CID 11975205
3-Chloro-4-[4-(4-pyridin-2-yl-piperazin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one
CID 15490956
Pyrimidine-4-carboxamide, 73
CID 44520950
Pyrimidine-4-carboxamide, 81
CID 44520954
Pyrimidine-4-carboxamide, 74
CID 44520963
Pyrimidine-4-carboxamide, 82
CID 44520967
(E)-but-2-enedioic acid;3-chloro-4-[4-[5-(4-methylpyrimidin-2-yl)-3,4-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepin-5-one
CID 46905547
(4-Butoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2094435
(4-Methoxyphenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 2811138
3-Methoxyphenyl 4-pyrimidin-2-ylpiperazinyl ketone
CID 3238602
2-Methoxy-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide
CID 10136330

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2-ethoxyphenyl)methanone?
The IUPAC name of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2-ethoxyphenyl)methanone (CID 72719396) is 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2-ethoxyphenyl)methanone.
What is the SMILES notation for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2-ethoxyphenyl)methanone?
The canonical SMILES for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)N1CCc2ncncc2C1.
What is the InChIKey of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2-ethoxyphenyl)methanone?
The InChIKey is ZSNYVXDRLMJOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-21-15-6-4-3-5-13(15)16(20)19-8-7-14-12(10-19)9-17-11-18-14/h3-6,9,11H,2,7-8,10H2,1H3.
What are the key properties of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2-ethoxyphenyl)methanone?
7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2-ethoxyphenyl)methanone has a molecular weight of 283.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 72719396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).