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

C18H22FN3O2 — CID 135864473

IUPAC7-[(2-fluoro-3-methoxyphenyl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCCc1nc2c(c(=O)[nH]1)CCN(Cc1cccc(OC)c1F)C2
InChIInChI=1S/C18H22FN3O2/c1-3-5-16-20-14-11-22(9-8-13(14)18(23)21-16)10-12-6-4-7-15(24-2)17(12)19/h4,6-7H,3,5,8-11H2,1-2H3,(H,20,21,23)
InChIKeyWVIRXZCBCPLDNX-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.43
Rot. Bonds5

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

7-[(2-fluoro-3-methoxyphenyl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135864473) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 7-[(2-fluoro-3-methoxyphenyl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(2-fluoro-3-methoxyphenyl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135864473
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name7-[(2-fluoro-3-methoxyphenyl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCCc1nc2c(c(=O)[nH]1)CCN(Cc1cccc(OC)c1F)C2
InChIInChI=1S/C18H22FN3O2/c1-3-5-16-20-14-11-22(9-8-13(14)18(23)21-16)10-12-6-4-7-15(24-2)17(12)19/h4,6-7H,3,5,8-11H2,1-2H3,(H,20,21,23)
InChIKeyWVIRXZCBCPLDNX-UHFFFAOYSA-N
XLogP2.43
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[(4-fluoro-3-methoxy-phenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717561
2-(5-cyano-2-(4-fluorophenyl)-6-oxopyrimidin-1(6H)-yl)-N-(3-methoxybenzyl)acetamide
CID 49661217
2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-(3-methoxybenzyl)acetamide
CID 49807268
2-[2-(4-Fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxo-1,6-dihydropyrimidin-1-YL]-N-[(3-methoxyphenyl)methyl]acetamide
CID 91912029
2-[(3-Fluorophenyl)methyl]-6-[2-(4-methoxyphenyl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135619409
6-Amino-2-[2-({3-[(2-methylprop-2-en-1-yl)oxy]benzyl}amino)ethyl]pyrimidin-4-ol
CID 136060415
6-[1-(2-Fluoro-5-methoxybenzyl)-3-piperidinyl]-2-methyl-4-pyrimidinol
CID 136102769
2-(4-fluorophenyl)-7-[3-(3-methoxyphenyl)propanoyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(1H)-one
CID 136112244
2-{[3-(difluoromethoxy)benzyl]amino}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136232444
4-(methoxymethyl)-2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136253615
5-fluoro-2-[1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136253796
"N-(3-fluorobenzyl)-2-(4-methoxyphenyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7(1H)-carboxamide"
CID 136339009

Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluoro-3-methoxyphenyl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(2-fluoro-3-methoxyphenyl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135864473) is 7-[(2-fluoro-3-methoxyphenyl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(2-fluoro-3-methoxyphenyl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(2-fluoro-3-methoxyphenyl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCCc1nc2c(c(=O)[nH]1)CCN(Cc1cccc(OC)c1F)C2.
What is the InChIKey of 7-[(2-fluoro-3-methoxyphenyl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is WVIRXZCBCPLDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-3-5-16-20-14-11-22(9-8-13(14)18(23)21-16)10-12-6-4-7-15(24-2)17(12)19/h4,6-7H,3,5,8-11H2,1-2H3,(H,20,21,23).
What are the key properties of 7-[(2-fluoro-3-methoxyphenyl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[(2-fluoro-3-methoxyphenyl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 331.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluoro-3-methoxyphenyl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135864473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).