N-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

C25H23N3O3 — CID 46415784

IUPACN-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCOCc1ccc(CNC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1
InChIInChI=1S/C25H23N3O3/c1-17-27-23-6-4-3-5-22(23)25(30)28(17)21-13-11-20(12-14-21)24(29)26-15-18-7-9-19(10-8-18)16-31-2/h3-14H,15-16H2,1-2H3,(H,26,29)
InChIKeyHARRHMRJRLPYPU-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.77
Rot. Bonds6

About N-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

N-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (PubChem CID 46415784) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
PubChem CID46415784
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCOCc1ccc(CNC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1
InChIInChI=1S/C25H23N3O3/c1-17-27-23-6-4-3-5-22(23)25(30)28(17)21-13-11-20(12-14-21)24(29)26-15-18-7-9-19(10-8-18)16-31-2/h3-14H,15-16H2,1-2H3,(H,26,29)
InChIKeyHARRHMRJRLPYPU-UHFFFAOYSA-N
XLogP3.77
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]thiourea
CID 35785421
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
[2-(benzylcarbamoylamino)-2-oxoethyl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 31653712
N-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 55368453
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
N-(2-ethyl-3-hydroxy-2-methylbutyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 71910593
2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide
CID 9399217
N-[[4-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 46448239
3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride
CID 165362442
N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 31141116
N-benzyl-N-ethyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39776780

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (CID 46415784) is N-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for N-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for N-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is COCc1ccc(CNC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1.
What is the InChIKey of N-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The InChIKey is HARRHMRJRLPYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-17-27-23-6-4-3-5-22(23)25(30)28(17)21-13-11-20(12-14-21)24(29)26-15-18-7-9-19(10-8-18)16-31-2/h3-14H,15-16H2,1-2H3,(H,26,29).
What are the key properties of N-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
N-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide has a molecular weight of 413.48 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 46415784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).