4-(2,4-dioxo-1H-quinazolin-6-yl)-3,4-dihydroxybutanamide

C12H13N3O5 — CID 171899993

IUPAC4-(2,4-dioxo-1H-quinazolin-6-yl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C12H13N3O5/c13-9(17)4-8(16)10(18)5-1-2-7-6(3-5)11(19)15-12(20)14-7/h1-3,8,10,16,18H,4H2,(H2,13,17)(H2,14,15,19,20)
InChIKeyPBVYDAPLBXBZQU-UHFFFAOYSA-N
MW279.25 g/mol
LogP-1.51
Rot. Bonds4

About 4-(2,4-dioxo-1H-quinazolin-6-yl)-3,4-dihydroxybutanamide

4-(2,4-dioxo-1H-quinazolin-6-yl)-3,4-dihydroxybutanamide (PubChem CID 171899993) has the molecular formula C12H13N3O5 and a molecular weight of 279.25 g/mol. Its IUPAC name is 4-(2,4-dioxo-1H-quinazolin-6-yl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(2,4-dioxo-1H-quinazolin-6-yl)-3,4-dihydroxybutanamide
PubChem CID171899993
Molecular FormulaC12H13N3O5
Molecular Weight279.25 g/mol
Exact Mass279.09
IUPAC Name4-(2,4-dioxo-1H-quinazolin-6-yl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C12H13N3O5/c13-9(17)4-8(16)10(18)5-1-2-7-6(3-5)11(19)15-12(20)14-7/h1-3,8,10,16,18H,4H2,(H2,13,17)(H2,14,15,19,20)
InChIKeyPBVYDAPLBXBZQU-UHFFFAOYSA-N
XLogP-1.51
TPSA149.27 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 5-1.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

4-(9H-carbazol-2-yl)-3,4-dihydroxybutanamide
CID 171900169
4-(3-aminophenyl)-3,4-dihydroxybutanamide
CID 171898668
3,4-dihydroxy-4-naphthalen-2-ylbutanamide
CID 171899360
3,4-dihydroxy-4-(6-oxo-1H-pyridin-3-yl)butanamide
CID 171900236
4-(4-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898897
3,4-dihydroxy-4-(6-hydroxynaphthalen-2-yl)butanamide
CID 171899918
4-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxybutanamide
CID 171898858
3,4-dihydroxy-4-(1-oxo-2,3-dihydroisoindol-5-yl)butanamide
CID 171899410
4-(3-amino-1,2-benzoxazol-5-yl)-3,4-dihydroxybutanamide
CID 171899382
3,4-dihydroxy-4-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]butanamide
CID 171900007
4-(4-bromophenyl)-3,4-dihydroxybutanamide
CID 171900225
3,4-dihydroxy-4-phenylbutanamide
CID 171898569

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1H-quinazolin-6-yl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(2,4-dioxo-1H-quinazolin-6-yl)-3,4-dihydroxybutanamide (CID 171899993) is 4-(2,4-dioxo-1H-quinazolin-6-yl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(2,4-dioxo-1H-quinazolin-6-yl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(2,4-dioxo-1H-quinazolin-6-yl)-3,4-dihydroxybutanamide is NC(=O)CC(O)C(O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of 4-(2,4-dioxo-1H-quinazolin-6-yl)-3,4-dihydroxybutanamide?
The InChIKey is PBVYDAPLBXBZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5/c13-9(17)4-8(16)10(18)5-1-2-7-6(3-5)11(19)15-12(20)14-7/h1-3,8,10,16,18H,4H2,(H2,13,17)(H2,14,15,19,20).
What are the key properties of 4-(2,4-dioxo-1H-quinazolin-6-yl)-3,4-dihydroxybutanamide?
4-(2,4-dioxo-1H-quinazolin-6-yl)-3,4-dihydroxybutanamide has a molecular weight of 279.25 g/mol, XLogP of -1.51, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-1H-quinazolin-6-yl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171899993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).