6'-methylspiro[2,3-dihydrochromene-4,7'-5,8-dihydro-1H-pyrido[4,3-d]pyrimidine]-2',4'-dione

C16H17N3O3 — CID 176611063

IUPAC6'-methylspiro[2,3-dihydrochromene-4,7'-5,8-dihydro-1H-pyrido[4,3-d]pyrimidine]-2',4'-dione
SMILESCN1Cc2c([nH]c(=O)[nH]c2=O)CC12CCOc1ccccc12
InChIInChI=1S/C16H17N3O3/c1-19-9-10-12(17-15(21)18-14(10)20)8-16(19)6-7-22-13-5-3-2-4-11(13)16/h2-5H,6-9H2,1H3,(H2,17,18,20,21)
InChIKeyVDNDDTLSWHRLEW-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.73
Rot. Bonds

About 6'-methylspiro[2,3-dihydrochromene-4,7'-5,8-dihydro-1H-pyrido[4,3-d]pyrimidine]-2',4'-dione

6'-methylspiro[2,3-dihydrochromene-4,7'-5,8-dihydro-1H-pyrido[4,3-d]pyrimidine]-2',4'-dione (PubChem CID 176611063) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 6'-methylspiro[2,3-dihydrochromene-4,7'-5,8-dihydro-1H-pyrido[4,3-d]pyrimidine]-2',4'-dione.

Molecular Properties

Compound Name6'-methylspiro[2,3-dihydrochromene-4,7'-5,8-dihydro-1H-pyrido[4,3-d]pyrimidine]-2',4'-dione
PubChem CID176611063
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name6'-methylspiro[2,3-dihydrochromene-4,7'-5,8-dihydro-1H-pyrido[4,3-d]pyrimidine]-2',4'-dione
SMILESCN1Cc2c([nH]c(=O)[nH]c2=O)CC12CCOc1ccccc12
InChIInChI=1S/C16H17N3O3/c1-19-9-10-12(17-15(21)18-14(10)20)8-16(19)6-7-22-13-5-3-2-4-11(13)16/h2-5H,6-9H2,1H3,(H2,17,18,20,21)
InChIKeyVDNDDTLSWHRLEW-UHFFFAOYSA-N
XLogP0.73
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6'-methylspiro[2,3-dihydrochromene-4,7'-5,8-dihydro-1H-pyrido[4,3-d]pyrimidine]-2',4'-dione?
The IUPAC name of 6'-methylspiro[2,3-dihydrochromene-4,7'-5,8-dihydro-1H-pyrido[4,3-d]pyrimidine]-2',4'-dione (CID 176611063) is 6'-methylspiro[2,3-dihydrochromene-4,7'-5,8-dihydro-1H-pyrido[4,3-d]pyrimidine]-2',4'-dione.
What is the SMILES notation for 6'-methylspiro[2,3-dihydrochromene-4,7'-5,8-dihydro-1H-pyrido[4,3-d]pyrimidine]-2',4'-dione?
The canonical SMILES for 6'-methylspiro[2,3-dihydrochromene-4,7'-5,8-dihydro-1H-pyrido[4,3-d]pyrimidine]-2',4'-dione is CN1Cc2c([nH]c(=O)[nH]c2=O)CC12CCOc1ccccc12.
What is the InChIKey of 6'-methylspiro[2,3-dihydrochromene-4,7'-5,8-dihydro-1H-pyrido[4,3-d]pyrimidine]-2',4'-dione?
The InChIKey is VDNDDTLSWHRLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-19-9-10-12(17-15(21)18-14(10)20)8-16(19)6-7-22-13-5-3-2-4-11(13)16/h2-5H,6-9H2,1H3,(H2,17,18,20,21).
What are the key properties of 6'-methylspiro[2,3-dihydrochromene-4,7'-5,8-dihydro-1H-pyrido[4,3-d]pyrimidine]-2',4'-dione?
6'-methylspiro[2,3-dihydrochromene-4,7'-5,8-dihydro-1H-pyrido[4,3-d]pyrimidine]-2',4'-dione has a molecular weight of 299.33 g/mol, XLogP of 0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-methylspiro[2,3-dihydrochromene-4,7'-5,8-dihydro-1H-pyrido[4,3-d]pyrimidine]-2',4'-dione is sourced from PubChem (CID 176611063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).