N-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide

C22H20N4O2S — CID 86971546

IUPACN-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1csc(CN(C)C(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)n1
InChIInChI=1S/C22H20N4O2S/c1-14-13-29-20(23-14)12-25(3)21(27)16-8-10-17(11-9-16)26-15(2)24-19-7-5-4-6-18(19)22(26)28/h4-11,13H,12H2,1-3H3
InChIKeyLTDBOZIXRHJCIO-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.73
Rot. Bonds4

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

N-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 86971546) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID86971546
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC NameN-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCc1csc(CN(C)C(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)n1
InChIInChI=1S/C22H20N4O2S/c1-14-13-29-20(23-14)12-25(3)21(27)16-8-10-17(11-9-16)26-15(2)24-19-7-5-4-6-18(19)22(26)28/h4-11,13H,12H2,1-3H3
InChIKeyLTDBOZIXRHJCIO-UHFFFAOYSA-N
XLogP3.73
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide with MolForge

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Related Compounds

N-benzyl-N-ethyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39776780
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 86878908
ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 744635
methyl 3-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]thiophene-2-carboxylate
CID 36670505
N-cyclopropyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 38531982
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39776818
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
3-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylquinazolin-4-one
CID 127257164
1-benzyl-3-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]thiourea
CID 35785421
N-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46415784
2-methyl-3-[4-(piperidine-1-carbonyl)phenyl]quinazolin-4-one
CID 17471641
N-(2-cyanoethyl)-4-(2-methyl-4-oxoquinazolin-3-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 78821809

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of N-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide (CID 86971546) is N-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for N-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is Cc1csc(CN(C)C(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)n1.
What is the InChIKey of N-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is LTDBOZIXRHJCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-14-13-29-20(23-14)12-25(3)21(27)16-8-10-17(11-9-16)26-15(2)24-19-7-5-4-6-18(19)22(26)28/h4-11,13H,12H2,1-3H3.
What are the key properties of N-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide?
N-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 404.50 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 86971546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).