N-(2-ethyl-3-hydroxy-2-methylbutyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

C23H27N3O3 — CID 71910593

IUPACN-(2-ethyl-3-hydroxy-2-methylbutyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCCC(C)(CNC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1)C(C)O
InChIInChI=1S/C23H27N3O3/c1-5-23(4,15(2)27)14-24-21(28)17-10-12-18(13-11-17)26-16(3)25-20-9-7-6-8-19(20)22(26)29/h6-13,15,27H,5,14H2,1-4H3,(H,24,28)
InChIKeyJSMLFZSJXSQPCQ-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.22
Rot. Bonds6

About N-(2-ethyl-3-hydroxy-2-methylbutyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

N-(2-ethyl-3-hydroxy-2-methylbutyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (PubChem CID 71910593) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(2-ethyl-3-hydroxy-2-methylbutyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-ethyl-3-hydroxy-2-methylbutyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
PubChem CID71910593
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-(2-ethyl-3-hydroxy-2-methylbutyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCCC(C)(CNC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1)C(C)O
InChIInChI=1S/C23H27N3O3/c1-5-23(4,15(2)27)14-24-21(28)17-10-12-18(13-11-17)26-16(3)25-20-9-7-6-8-19(20)22(26)29/h6-13,15,27H,5,14H2,1-4H3,(H,24,28)
InChIKeyJSMLFZSJXSQPCQ-UHFFFAOYSA-N
XLogP3.22
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 86878908
N-[[4-(methoxymethyl)phenyl]methyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46415784
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 39777242
[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 8996511
ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 744635
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
1-benzyl-3-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]thiourea
CID 35785421
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 39776766
4-(2-methyl-4-oxoquinazolin-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32624561
N-[2-(3-chlorophenyl)ethyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 55368453
N-benzyl-N-ethyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39776780
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39776818

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-3-hydroxy-2-methylbutyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of N-(2-ethyl-3-hydroxy-2-methylbutyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (CID 71910593) is N-(2-ethyl-3-hydroxy-2-methylbutyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for N-(2-ethyl-3-hydroxy-2-methylbutyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for N-(2-ethyl-3-hydroxy-2-methylbutyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is CCC(C)(CNC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1)C(C)O.
What is the InChIKey of N-(2-ethyl-3-hydroxy-2-methylbutyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The InChIKey is JSMLFZSJXSQPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-5-23(4,15(2)27)14-24-21(28)17-10-12-18(13-11-17)26-16(3)25-20-9-7-6-8-19(20)22(26)29/h6-13,15,27H,5,14H2,1-4H3,(H,24,28).
What are the key properties of N-(2-ethyl-3-hydroxy-2-methylbutyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
N-(2-ethyl-3-hydroxy-2-methylbutyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide has a molecular weight of 393.49 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-3-hydroxy-2-methylbutyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 71910593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).