6-(2,4-dioxo-1H-quinazolin-3-yl)-N-(furan-2-ylmethyl)hexanamide

C19H21N3O4 — CID 4639143

IUPAC6-(2,4-dioxo-1H-quinazolin-3-yl)-N-(furan-2-ylmethyl)hexanamide
SMILESO=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)NCc1ccco1
InChIInChI=1S/C19H21N3O4/c23-17(20-13-14-7-6-12-26-14)10-2-1-5-11-22-18(24)15-8-3-4-9-16(15)21-19(22)25/h3-4,6-9,12H,1-2,5,10-11,13H2,(H,20,23)(H,21,25)
InChIKeyAGBBITNUWPWZMJ-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.16
Rot. Bonds8

About 6-(2,4-dioxo-1H-quinazolin-3-yl)-N-(furan-2-ylmethyl)hexanamide

6-(2,4-dioxo-1H-quinazolin-3-yl)-N-(furan-2-ylmethyl)hexanamide (PubChem CID 4639143) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 6-(2,4-dioxo-1H-quinazolin-3-yl)-N-(furan-2-ylmethyl)hexanamide.

Molecular Properties

Compound Name6-(2,4-dioxo-1H-quinazolin-3-yl)-N-(furan-2-ylmethyl)hexanamide
PubChem CID4639143
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name6-(2,4-dioxo-1H-quinazolin-3-yl)-N-(furan-2-ylmethyl)hexanamide
SMILESO=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)NCc1ccco1
InChIInChI=1S/C19H21N3O4/c23-17(20-13-14-7-6-12-26-14)10-2-1-5-11-22-18(24)15-8-3-4-9-16(15)21-19(22)25/h3-4,6-9,12H,1-2,5,10-11,13H2,(H,20,23)(H,21,25)
InChIKeyAGBBITNUWPWZMJ-UHFFFAOYSA-N
XLogP2.16
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)hexanamide
CID 4191578
5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide
CID 119103654
6-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)hexanamide
CID 647827
11-(1,3-dioxoisoindol-2-yl)-N-(furan-2-ylmethyl)undecanamide
CID 8796994
N-benzyl-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide
CID 3509459
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide
CID 4103924
2-[6-(2,4-dioxo-1H-quinazolin-3-yl)hexanoylamino]-3-methylbutanoic acid
CID 4834295
N-(furan-2-ylmethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 5045478
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide
CID 4068208
N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4302111
5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide
CID 3236263
6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-4-ylmethyl)hexanamide
CID 17469037

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dioxo-1H-quinazolin-3-yl)-N-(furan-2-ylmethyl)hexanamide?
The IUPAC name of 6-(2,4-dioxo-1H-quinazolin-3-yl)-N-(furan-2-ylmethyl)hexanamide (CID 4639143) is 6-(2,4-dioxo-1H-quinazolin-3-yl)-N-(furan-2-ylmethyl)hexanamide.
What is the SMILES notation for 6-(2,4-dioxo-1H-quinazolin-3-yl)-N-(furan-2-ylmethyl)hexanamide?
The canonical SMILES for 6-(2,4-dioxo-1H-quinazolin-3-yl)-N-(furan-2-ylmethyl)hexanamide is O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)NCc1ccco1.
What is the InChIKey of 6-(2,4-dioxo-1H-quinazolin-3-yl)-N-(furan-2-ylmethyl)hexanamide?
The InChIKey is AGBBITNUWPWZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-17(20-13-14-7-6-12-26-14)10-2-1-5-11-22-18(24)15-8-3-4-9-16(15)21-19(22)25/h3-4,6-9,12H,1-2,5,10-11,13H2,(H,20,23)(H,21,25).
What are the key properties of 6-(2,4-dioxo-1H-quinazolin-3-yl)-N-(furan-2-ylmethyl)hexanamide?
6-(2,4-dioxo-1H-quinazolin-3-yl)-N-(furan-2-ylmethyl)hexanamide has a molecular weight of 355.39 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dioxo-1H-quinazolin-3-yl)-N-(furan-2-ylmethyl)hexanamide is sourced from PubChem (CID 4639143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).