3-(2,4-dioxoquinazolin-1-yl)-N-[(1R)-3-methoxy-1-(5-methylfuran-2-yl)propyl]propanamide

C20H23N3O5 — CID 97260608

IUPAC3-(2,4-dioxoquinazolin-1-yl)-N-[(1R)-3-methoxy-1-(5-methylfuran-2-yl)propyl]propanamide
SMILESCOCC[C@@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(C)o1
InChIInChI=1S/C20H23N3O5/c1-13-7-8-17(28-13)15(10-12-27-2)21-18(24)9-11-23-16-6-4-3-5-14(16)19(25)22-20(23)26/h3-8,15H,9-12H2,1-2H3,(H,21,24)(H,22,25,26)/t15-/m1/s1
InChIKeyWSQAJULURMRTQH-OAHLLOKOSA-N
MW385.42 g/mol
LogP1.88
Rot. Bonds8

About 3-(2,4-dioxoquinazolin-1-yl)-N-[(1R)-3-methoxy-1-(5-methylfuran-2-yl)propyl]propanamide

3-(2,4-dioxoquinazolin-1-yl)-N-[(1R)-3-methoxy-1-(5-methylfuran-2-yl)propyl]propanamide (PubChem CID 97260608) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-(2,4-dioxoquinazolin-1-yl)-N-[(1R)-3-methoxy-1-(5-methylfuran-2-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxoquinazolin-1-yl)-N-[(1R)-3-methoxy-1-(5-methylfuran-2-yl)propyl]propanamide
PubChem CID97260608
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name3-(2,4-dioxoquinazolin-1-yl)-N-[(1R)-3-methoxy-1-(5-methylfuran-2-yl)propyl]propanamide
SMILESCOCC[C@@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(C)o1
InChIInChI=1S/C20H23N3O5/c1-13-7-8-17(28-13)15(10-12-27-2)21-18(24)9-11-23-16-6-4-3-5-14(16)19(25)22-20(23)26/h3-8,15H,9-12H2,1-2H3,(H,21,24)(H,22,25,26)/t15-/m1/s1
InChIKeyWSQAJULURMRTQH-OAHLLOKOSA-N
XLogP1.88
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[(1R)-3-methoxy-1-(5-methylfuran-2-yl)propyl]propanamide?
The IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-[(1R)-3-methoxy-1-(5-methylfuran-2-yl)propyl]propanamide (CID 97260608) is 3-(2,4-dioxoquinazolin-1-yl)-N-[(1R)-3-methoxy-1-(5-methylfuran-2-yl)propyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxoquinazolin-1-yl)-N-[(1R)-3-methoxy-1-(5-methylfuran-2-yl)propyl]propanamide?
The canonical SMILES for 3-(2,4-dioxoquinazolin-1-yl)-N-[(1R)-3-methoxy-1-(5-methylfuran-2-yl)propyl]propanamide is COCC[C@@H](NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)c1ccc(C)o1.
What is the InChIKey of 3-(2,4-dioxoquinazolin-1-yl)-N-[(1R)-3-methoxy-1-(5-methylfuran-2-yl)propyl]propanamide?
The InChIKey is WSQAJULURMRTQH-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-13-7-8-17(28-13)15(10-12-27-2)21-18(24)9-11-23-16-6-4-3-5-14(16)19(25)22-20(23)26/h3-8,15H,9-12H2,1-2H3,(H,21,24)(H,22,25,26)/t15-/m1/s1.
What are the key properties of 3-(2,4-dioxoquinazolin-1-yl)-N-[(1R)-3-methoxy-1-(5-methylfuran-2-yl)propyl]propanamide?
3-(2,4-dioxoquinazolin-1-yl)-N-[(1R)-3-methoxy-1-(5-methylfuran-2-yl)propyl]propanamide has a molecular weight of 385.42 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxoquinazolin-1-yl)-N-[(1R)-3-methoxy-1-(5-methylfuran-2-yl)propyl]propanamide is sourced from PubChem (CID 97260608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).