N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

C28H25N3O4 — CID 60549295

IUPACN-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC(c2ccc3c(c2)OCCO3)C2CC2)cc1
InChIInChI=1S/C28H25N3O4/c1-17-29-23-5-3-2-4-22(23)28(33)31(17)21-11-8-19(9-12-21)27(32)30-26(18-6-7-18)20-10-13-24-25(16-20)35-15-14-34-24/h2-5,8-13,16,18,26H,6-7,14-15H2,1H3,(H,30,32)
InChIKeyYPKHYBBOHLUDDX-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.35
Rot. Bonds5

About N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (PubChem CID 60549295) has the molecular formula C28H25N3O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound NameN-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
PubChem CID60549295
Molecular FormulaC28H25N3O4
Molecular Weight467.53 g/mol
Exact Mass467.18
IUPAC NameN-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC(c2ccc3c(c2)OCCO3)C2CC2)cc1
InChIInChI=1S/C28H25N3O4/c1-17-29-23-5-3-2-4-22(23)28(33)31(17)21-11-8-19(9-12-21)27(32)30-26(18-6-7-18)20-10-13-24-25(16-20)35-15-14-34-24/h2-5,8-13,16,18,26H,6-7,14-15H2,1H3,(H,30,32)
InChIKeyYPKHYBBOHLUDDX-UHFFFAOYSA-N
XLogP4.35
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-propan-2-ylbenzamide
CID 55919900
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 26995174
N-[1-(2,5-dimethylphenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46565875
N-[3-(cyclopropanecarbonylamino)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46579082
4-(benzenesulfonylmethyl)-N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]benzamide
CID 55921711
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46680166
N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 86948677
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 119037365
N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 94819757
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 39777242
4-[[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 119182242

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (CID 60549295) is N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NC(c2ccc3c(c2)OCCO3)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The InChIKey is YPKHYBBOHLUDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O4/c1-17-29-23-5-3-2-4-22(23)28(33)31(17)21-11-8-19(9-12-21)27(32)30-26(18-6-7-18)20-10-13-24-25(16-20)35-15-14-34-24/h2-5,8-13,16,18,26H,6-7,14-15H2,1H3,(H,30,32).
What are the key properties of N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide has a molecular weight of 467.53 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 60549295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).