7-(3-methoxythiophene-2-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

C14H15N3O3S — CID 128999810

IUPAC7-(3-methoxythiophene-2-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCOc1ccsc1C(=O)N1CCc2c(ncn(C)c2=O)C1
InChIInChI=1S/C14H15N3O3S/c1-16-8-15-10-7-17(5-3-9(10)13(16)18)14(19)12-11(20-2)4-6-21-12/h4,6,8H,3,5,7H2,1-2H3
InChIKeyHPZRPMFNOWRAEG-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.05
Rot. Bonds2

About 7-(3-methoxythiophene-2-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

7-(3-methoxythiophene-2-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 128999810) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 7-(3-methoxythiophene-2-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3-methoxythiophene-2-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID128999810
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name7-(3-methoxythiophene-2-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCOc1ccsc1C(=O)N1CCc2c(ncn(C)c2=O)C1
InChIInChI=1S/C14H15N3O3S/c1-16-8-15-10-7-17(5-3-9(10)13(16)18)14(19)12-11(20-2)4-6-21-12/h4,6,8H,3,5,7H2,1-2H3
InChIKeyHPZRPMFNOWRAEG-UHFFFAOYSA-N
XLogP1.05
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(3-methoxythiophene-2-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

3-methyl-7-(5-propan-2-ylthiophene-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999775
3-methyl-7-(2-methylfuran-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999759
3-methyl-7-(2-methyl-3-thiophen-2-ylpropanoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999803
7-(1H-indazole-3-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 154745769
2-(3-methoxythiophene-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997209
[4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81122977
3-methyl-7-thiophen-2-ylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999986
(3-hydroxy-3-methylazetidin-1-yl)-(3-methoxythiophen-2-yl)methanone
CID 81121651
(4-methoxyphenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110872625
3,5-dimethyl-6-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 136930439
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 136533757
1-(3-methoxythiophene-2-carbonyl)piperidine-4-carbonitrile
CID 78945788

Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxythiophene-2-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(3-methoxythiophene-2-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 128999810) is 7-(3-methoxythiophene-2-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(3-methoxythiophene-2-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(3-methoxythiophene-2-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is COc1ccsc1C(=O)N1CCc2c(ncn(C)c2=O)C1.
What is the InChIKey of 7-(3-methoxythiophene-2-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is HPZRPMFNOWRAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-16-8-15-10-7-17(5-3-9(10)13(16)18)14(19)12-11(20-2)4-6-21-12/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of 7-(3-methoxythiophene-2-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
7-(3-methoxythiophene-2-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 305.36 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxythiophene-2-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 128999810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).