2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide

C22H23N3O4 — CID 71708888

IUPAC2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide
SMILESCC(C)n1cnc2ccc(NC(=O)Cc3ccc4c(c3)OCCCO4)cc2c1=O
InChIInChI=1S/C22H23N3O4/c1-14(2)25-13-23-18-6-5-16(12-17(18)22(25)27)24-21(26)11-15-4-7-19-20(10-15)29-9-3-8-28-19/h4-7,10,12-14H,3,8-9,11H2,1-2H3,(H,24,26)
InChIKeyONWXPGBAZXKXHC-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.32
Rot. Bonds4

About 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide (PubChem CID 71708888) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide
PubChem CID71708888
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide
SMILESCC(C)n1cnc2ccc(NC(=O)Cc3ccc4c(c3)OCCCO4)cc2c1=O
InChIInChI=1S/C22H23N3O4/c1-14(2)25-13-23-18-6-5-16(12-17(18)22(25)27)24-21(26)11-15-4-7-19-20(10-15)29-9-3-8-28-19/h4-7,10,12-14H,3,8-9,11H2,1-2H3,(H,24,26)
InChIKeyONWXPGBAZXKXHC-UHFFFAOYSA-N
XLogP3.32
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide with MolForge

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Related Compounds

N-(4-oxo-3-propan-2-ylquinazolin-6-yl)furan-2-carboxamide
CID 71700947
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 7632540
2,2-dimethyl-5-oxo-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)oxolane-3-carboxamide
CID 75464700
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 2101612
2-(4-butylphenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 30790386
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)pentanamide
CID 71826065
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 714396
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 110767511
2-(1,3-benzodioxol-5-yl)-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
CID 131936069
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxobutanamide
CID 18072726
N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16839020

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide (CID 71708888) is 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide is CC(C)n1cnc2ccc(NC(=O)Cc3ccc4c(c3)OCCCO4)cc2c1=O.
What is the InChIKey of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide?
The InChIKey is ONWXPGBAZXKXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-14(2)25-13-23-18-6-5-16(12-17(18)22(25)27)24-21(26)11-15-4-7-19-20(10-15)29-9-3-8-28-19/h4-7,10,12-14H,3,8-9,11H2,1-2H3,(H,24,26).
What are the key properties of 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide?
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide has a molecular weight of 393.44 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-oxo-3-propan-2-ylquinazolin-6-yl)acetamide is sourced from PubChem (CID 71708888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).