7-[(2-fluoro-6-methoxyphenyl)methyl]-2-(4-methylphenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C22H22FN3O2 — CID 135864632

IUPAC7-[(2-fluoro-6-methoxyphenyl)methyl]-2-(4-methylphenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOc1cccc(F)c1CN1CCc2c(nc(-c3ccc(C)cc3)[nH]c2=O)C1
InChIInChI=1S/C22H22FN3O2/c1-14-6-8-15(9-7-14)21-24-19-13-26(11-10-16(19)22(27)25-21)12-17-18(23)4-3-5-20(17)28-2/h3-9H,10-13H2,1-2H3,(H,24,25,27)
InChIKeyNOYDKCUWNWACIC-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.45
Rot. Bonds4

About 7-[(2-fluoro-6-methoxyphenyl)methyl]-2-(4-methylphenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[(2-fluoro-6-methoxyphenyl)methyl]-2-(4-methylphenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135864632) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 7-[(2-fluoro-6-methoxyphenyl)methyl]-2-(4-methylphenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(2-fluoro-6-methoxyphenyl)methyl]-2-(4-methylphenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135864632
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name7-[(2-fluoro-6-methoxyphenyl)methyl]-2-(4-methylphenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOc1cccc(F)c1CN1CCc2c(nc(-c3ccc(C)cc3)[nH]c2=O)C1
InChIInChI=1S/C22H22FN3O2/c1-14-6-8-15(9-7-14)21-24-19-13-26(11-10-16(19)22(27)25-21)12-17-18(23)4-3-5-20(17)28-2/h3-9H,10-13H2,1-2H3,(H,24,25,27)
InChIKeyNOYDKCUWNWACIC-UHFFFAOYSA-N
XLogP3.45
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-6-(2-methoxyphenyl)-2-oxo-3-[(2-phenylethyl)amino]-1,2-dihydropyrazin-1-yl]acetamide
CID 11103558
7-[2-(3,4-Difluorophenoxy)acetyl]-2-(4-methoxyphenyl)-1H,4H,5H,6H,7H,8H-pyrido[3,4-D]pyrimidin-4-one
CID 136112276
6-Benzyl-2-[(2-methoxyphenyl)methylamino]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136362969
2-(4-(4-fluorophenyl)-6-oxopyrimidin-1(6H)-yl)-N-(2-methoxyphenethyl)acetamide
CID 25884736
2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-(3-methoxybenzyl)acetamide
CID 49807268
2-(4-Fluorophenyl)-5-(2-hydroxyethyl)-3-[(2-methoxyphenyl)methyl]-6-methyl-3,4-dihydropyrimidin-4-one
CID 91912041
4-Hydroxy-6-(2-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile
CID 135472849
2-{[(4-Fluorophenyl)methyl]sulfanyl}-6-[(2-methoxyphenyl)methyl]-3H,4H,5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-4-one
CID 136079947
2-(4-fluorophenyl)-7-[3-(3-methoxyphenyl)propanoyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
CID 136112244
2-[2-(difluoromethoxy)-6-methoxyphenyl]-5-(dipropylamino)-4-methyl-1H-pyrimidin-6-one
CID 136186042
7-(3-Fluoro-4-methylbenzoyl)-2-(4-methoxyphenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136251462
7-(5-Fluoro-2-methoxybenzenesulfonyl)-2-(4-fluorophenyl)-1H,4H,5H,6H,7H,8H-pyrido[3,4-D]pyrimidin-4-one
CID 136338995

Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluoro-6-methoxyphenyl)methyl]-2-(4-methylphenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(2-fluoro-6-methoxyphenyl)methyl]-2-(4-methylphenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135864632) is 7-[(2-fluoro-6-methoxyphenyl)methyl]-2-(4-methylphenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(2-fluoro-6-methoxyphenyl)methyl]-2-(4-methylphenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(2-fluoro-6-methoxyphenyl)methyl]-2-(4-methylphenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is COc1cccc(F)c1CN1CCc2c(nc(-c3ccc(C)cc3)[nH]c2=O)C1.
What is the InChIKey of 7-[(2-fluoro-6-methoxyphenyl)methyl]-2-(4-methylphenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is NOYDKCUWNWACIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-14-6-8-15(9-7-14)21-24-19-13-26(11-10-16(19)22(27)25-21)12-17-18(23)4-3-5-20(17)28-2/h3-9H,10-13H2,1-2H3,(H,24,25,27).
What are the key properties of 7-[(2-fluoro-6-methoxyphenyl)methyl]-2-(4-methylphenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[(2-fluoro-6-methoxyphenyl)methyl]-2-(4-methylphenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 379.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluoro-6-methoxyphenyl)methyl]-2-(4-methylphenyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135864632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).