1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-naphthalen-1-ylpropan-1-one

C20H19N3O — CID 72719452

IUPAC1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-naphthalen-1-ylpropan-1-one
SMILESO=C(CCc1cccc2ccccc12)N1CCc2ncncc2C1
InChIInChI=1S/C20H19N3O/c24-20(23-11-10-19-17(13-23)12-21-14-22-19)9-8-16-6-3-5-15-4-1-2-7-18(15)16/h1-7,12,14H,8-11,13H2
InChIKeyJBNZDBRJNNLQJK-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.15
Rot. Bonds3

About 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-naphthalen-1-ylpropan-1-one

1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-naphthalen-1-ylpropan-1-one (PubChem CID 72719452) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-naphthalen-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-naphthalen-1-ylpropan-1-one
PubChem CID72719452
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-naphthalen-1-ylpropan-1-one
SMILESO=C(CCc1cccc2ccccc12)N1CCc2ncncc2C1
InChIInChI=1S/C20H19N3O/c24-20(23-11-10-19-17(13-23)12-21-14-22-19)9-8-16-6-3-5-15-4-1-2-7-18(15)16/h1-7,12,14H,8-11,13H2
InChIKeyJBNZDBRJNNLQJK-UHFFFAOYSA-N
XLogP3.15
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-naphthalen-1-ylpropan-1-one with MolForge

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Related Compounds

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CID 9873032
N-methyl-N-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]acetamide
CID 24891647
2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-phenyl-7,8-dihydroquinazolin-5(6H)-one
CID 4602970
N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzamide
CID 1483614
N-(3,5-bis(trifluoromethyl)benzyl)-N-methyl-2-(4-methylpiperazin-1-yl)-4-o-tolylpyrimidine-5-carboxamide
CID 9850565
[4-(4-Methylpyrimidin-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 15950792
3-(2-aminoquinazolin-6-yl)-1-(4-fluoro-3-methylphenyl)-4-methylpyridin-2(1H)-one
CID 24879243
3-(2-aminoquinazolin-6-yl)-4-methyl-1-phenylpyridin-2(1H)-one
CID 24879306
3-(2-aminoquinazolin-6-yl)-1-(4-tert-butylphenyl)-4-methylpyridin-2(1H)-one
CID 24879307
3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-(trifluoromethyl)phenyl)pyridin-2(1H)-one
CID 24879308
3-(2-aminoquinazolin-6-yl)-1-(3-fluoro-4-methylphenyl)-4-methylpyridin-2(1H)-one
CID 24879311
6-(2,6-Dimethyl-phenyl)-8-methyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 44390953

Frequently Asked Questions

What is the IUPAC name of 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-naphthalen-1-ylpropan-1-one?
The IUPAC name of 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-naphthalen-1-ylpropan-1-one (CID 72719452) is 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-naphthalen-1-ylpropan-1-one.
What is the SMILES notation for 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-naphthalen-1-ylpropan-1-one?
The canonical SMILES for 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-naphthalen-1-ylpropan-1-one is O=C(CCc1cccc2ccccc12)N1CCc2ncncc2C1.
What is the InChIKey of 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-naphthalen-1-ylpropan-1-one?
The InChIKey is JBNZDBRJNNLQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c24-20(23-11-10-19-17(13-23)12-21-14-22-19)9-8-16-6-3-5-15-4-1-2-7-18(15)16/h1-7,12,14H,8-11,13H2.
What are the key properties of 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-naphthalen-1-ylpropan-1-one?
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-naphthalen-1-ylpropan-1-one has a molecular weight of 317.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-naphthalen-1-ylpropan-1-one is sourced from PubChem (CID 72719452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).