3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[(5-methylfuran-2-yl)methyl]propanamide

C19H21N3O6 — CID 15993854

IUPAC3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCOc1cc2[nH]c(=O)n(CCC(=O)NCc3ccc(C)o3)c(=O)c2cc1OC
InChIInChI=1S/C19H21N3O6/c1-11-4-5-12(28-11)10-20-17(23)6-7-22-18(24)13-8-15(26-2)16(27-3)9-14(13)21-19(22)25/h4-5,8-9H,6-7,10H2,1-3H3,(H,20,23)(H,21,25)
InChIKeyPGXPPIWKASWVEZ-UHFFFAOYSA-N
MW387.39 g/mol
LogP1.31
Rot. Bonds7

About 3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[(5-methylfuran-2-yl)methyl]propanamide

3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[(5-methylfuran-2-yl)methyl]propanamide (PubChem CID 15993854) has the molecular formula C19H21N3O6 and a molecular weight of 387.39 g/mol. Its IUPAC name is 3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[(5-methylfuran-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[(5-methylfuran-2-yl)methyl]propanamide
PubChem CID15993854
Molecular FormulaC19H21N3O6
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCOc1cc2[nH]c(=O)n(CCC(=O)NCc3ccc(C)o3)c(=O)c2cc1OC
InChIInChI=1S/C19H21N3O6/c1-11-4-5-12(28-11)10-20-17(23)6-7-22-18(24)13-8-15(26-2)16(27-3)9-14(13)21-19(22)25/h4-5,8-9H,6-7,10H2,1-3H3,(H,20,23)(H,21,25)
InChIKeyPGXPPIWKASWVEZ-UHFFFAOYSA-N
XLogP1.31
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[(5-methylfuran-2-yl)methyl]propanamide?
The IUPAC name of 3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[(5-methylfuran-2-yl)methyl]propanamide (CID 15993854) is 3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[(5-methylfuran-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[(5-methylfuran-2-yl)methyl]propanamide?
The canonical SMILES for 3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[(5-methylfuran-2-yl)methyl]propanamide is COc1cc2[nH]c(=O)n(CCC(=O)NCc3ccc(C)o3)c(=O)c2cc1OC.
What is the InChIKey of 3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[(5-methylfuran-2-yl)methyl]propanamide?
The InChIKey is PGXPPIWKASWVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6/c1-11-4-5-12(28-11)10-20-17(23)6-7-22-18(24)13-8-15(26-2)16(27-3)9-14(13)21-19(22)25/h4-5,8-9H,6-7,10H2,1-3H3,(H,20,23)(H,21,25).
What are the key properties of 3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[(5-methylfuran-2-yl)methyl]propanamide?
3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[(5-methylfuran-2-yl)methyl]propanamide has a molecular weight of 387.39 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[(5-methylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 15993854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).