7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C23H23N3O2 — CID 24930578

IUPAC7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCc1ccc(-c2ncc3c(n2)CN(Cc2ccc4c(c2)OCCO4)CC3)cc1
InChIInChI=1S/C23H23N3O2/c1-16-2-5-18(6-3-16)23-24-13-19-8-9-26(15-20(19)25-23)14-17-4-7-21-22(12-17)28-11-10-27-21/h2-7,12-13H,8-11,14-15H2,1H3
InChIKeyMNHLNKYDNDNHNP-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.78
Rot. Bonds3

About 7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24930578) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24930578
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCc1ccc(-c2ncc3c(n2)CN(Cc2ccc4c(c2)OCCO4)CC3)cc1
InChIInChI=1S/C23H23N3O2/c1-16-2-5-18(6-3-16)23-24-13-19-8-9-26(15-20(19)25-23)14-17-4-7-21-22(12-17)28-11-10-27-21/h2-7,12-13H,8-11,14-15H2,1H3
InChIKeyMNHLNKYDNDNHNP-UHFFFAOYSA-N
XLogP3.78
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930562
7-[(4-methylphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930328
2-(4-chlorophenyl)-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930296
2-(4-chlorophenyl)-7-[(4-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930926
7-[(4-methoxyphenyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930303
7-[(5-methyl-1H-indol-3-yl)methyl]-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931103
7-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930646
2-pyridin-4-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931692
4-[7-[(2-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]aniline
CID 24930272
7-[(3-methylphenyl)methyl]-2-thiophen-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930213
[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 31361933
4-[7-[(6-methyl-2-pyridinyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]aniline
CID 24931259

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24930578) is 7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is Cc1ccc(-c2ncc3c(n2)CN(Cc2ccc4c(c2)OCCO4)CC3)cc1.
What is the InChIKey of 7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is MNHLNKYDNDNHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16-2-5-18(6-3-16)23-24-13-19-8-9-26(15-20(19)25-23)14-17-4-7-21-22(12-17)28-11-10-27-21/h2-7,12-13H,8-11,14-15H2,1H3.
What are the key properties of 7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 373.46 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24930578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).