N-(1,3-benzodioxol-5-yl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide

C21H21N3O5 — CID 4904247

IUPACN-(1,3-benzodioxol-5-yl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
SMILESO=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C21H21N3O5/c25-19(22-14-9-10-17-18(12-14)29-13-28-17)8-2-1-5-11-24-20(26)15-6-3-4-7-16(15)23-21(24)27/h3-4,6-7,9-10,12H,1-2,5,8,11,13H2,(H,22,25)(H,23,27)
InChIKeyAHQAMIBKTHDICQ-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.62
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide

N-(1,3-benzodioxol-5-yl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide (PubChem CID 4904247) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
PubChem CID4904247
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
SMILESO=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C21H21N3O5/c25-19(22-14-9-10-17-18(12-14)29-13-28-17)8-2-1-5-11-24-20(26)15-6-3-4-7-16(15)23-21(24)27/h3-4,6-7,9-10,12H,1-2,5,8,11,13H2,(H,22,25)(H,23,27)
InChIKeyAHQAMIBKTHDICQ-UHFFFAOYSA-N
XLogP2.62
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 3541728
N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4302111
N-(3,4-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4909918
N-(1,3-benzodioxol-5-yl)-6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanamide
CID 4975940
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)butanamide
CID 42506632
N-(3-chloro-4-methoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
CID 4905483
N-(1,3-benzodioxol-5-yl)-4-[4-oxo-2-(trifluoromethyl)quinazolin-3-yl]butanamide
CID 16767097
3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxobutyl]-1H-quinazoline-2,4-dione
CID 3241880
N-(3-chlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4973826
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(9-oxoacridin-10-yl)butanamide
CID 15998549
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(1-methylpyrazol-3-yl)butanamide
CID 125432106
N-(3,5-dichlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4904089

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide (CID 4904247) is N-(1,3-benzodioxol-5-yl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide is O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide?
The InChIKey is AHQAMIBKTHDICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c25-19(22-14-9-10-17-18(12-14)29-13-28-17)8-2-1-5-11-24-20(26)15-6-3-4-7-16(15)23-21(24)27/h3-4,6-7,9-10,12H,1-2,5,8,11,13H2,(H,22,25)(H,23,27).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide?
N-(1,3-benzodioxol-5-yl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide has a molecular weight of 395.42 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide is sourced from PubChem (CID 4904247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).