N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

C26H27N5O3 — CID 55622435

IUPACN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCc1nc(C2(NC(=O)c3ccc(-n4c(C)nc5ccccc5c4=O)cc3)CCCCCC2)no1
InChIInChI=1S/C26H27N5O3/c1-17-27-22-10-6-5-9-21(22)24(33)31(17)20-13-11-19(12-14-20)23(32)29-26(15-7-3-4-8-16-26)25-28-18(2)34-30-25/h5-6,9-14H,3-4,7-8,15-16H2,1-2H3,(H,29,32)
InChIKeyFJZHSZHFZZFUAZ-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.37
Rot. Bonds4

About N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (PubChem CID 55622435) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
PubChem CID55622435
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCc1nc(C2(NC(=O)c3ccc(-n4c(C)nc5ccccc5c4=O)cc3)CCCCCC2)no1
InChIInChI=1S/C26H27N5O3/c1-17-27-22-10-6-5-9-21(22)24(33)31(17)20-13-11-19(12-14-20)23(32)29-26(15-7-3-4-8-16-26)25-28-18(2)34-30-25/h5-6,9-14H,3-4,7-8,15-16H2,1-2H3,(H,29,32)
InChIKeyFJZHSZHFZZFUAZ-UHFFFAOYSA-N
XLogP4.37
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 31164000
2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one
CID 17471641
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-piperidin-1-ylphenyl)benzamide
CID 43027483
N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 86948677
3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylquinazolin-4-one
CID 127257164
3-[4-(4-hydroxy-4-methylpiperidine-1-carbonyl)phenyl]-2-methylquinazolin-4-one
CID 126783335
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 39777242
2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide
CID 9399217
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 39776766
3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide
CID 31164048
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86982746

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (CID 55622435) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is Cc1nc(C2(NC(=O)c3ccc(-n4c(C)nc5ccccc5c4=O)cc3)CCCCCC2)no1.
What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The InChIKey is FJZHSZHFZZFUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-17-27-22-10-6-5-9-21(22)24(33)31(17)20-13-11-19(12-14-20)23(32)29-26(15-7-3-4-8-16-26)25-28-18(2)34-30-25/h5-6,9-14H,3-4,7-8,15-16H2,1-2H3,(H,29,32).
What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide has a molecular weight of 457.53 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 55622435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).