N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-methylphenoxy)ethyl]butanamide

C23H27N3O3 — CID 31949527

IUPACN-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-methylphenoxy)ethyl]butanamide
SMILESCc1ccc(OCCN(C)C(=O)CCCn2cnc3c(C)cccc3c2=O)cc1
InChIInChI=1S/C23H27N3O3/c1-17-9-11-19(12-10-17)29-15-14-25(3)21(27)8-5-13-26-16-24-22-18(2)6-4-7-20(22)23(26)28/h4,6-7,9-12,16H,5,8,13-15H2,1-3H3
InChIKeyWNUQIRPSTAYEEK-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.33
Rot. Bonds8

About N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-methylphenoxy)ethyl]butanamide

N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-methylphenoxy)ethyl]butanamide (PubChem CID 31949527) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-methylphenoxy)ethyl]butanamide.

Molecular Properties

Compound NameN-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-methylphenoxy)ethyl]butanamide
PubChem CID31949527
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-methylphenoxy)ethyl]butanamide
SMILESCc1ccc(OCCN(C)C(=O)CCCn2cnc3c(C)cccc3c2=O)cc1
InChIInChI=1S/C23H27N3O3/c1-17-9-11-19(12-10-17)29-15-14-25(3)21(27)8-5-13-26-16-24-22-18(2)6-4-7-20(22)23(26)28/h4,6-7,9-12,16H,5,8,13-15H2,1-3H3
InChIKeyWNUQIRPSTAYEEK-UHFFFAOYSA-N
XLogP3.33
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-methylphenoxy)ethyl]butanamide with MolForge

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Related Compounds

4-[methyl-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid
CID 119137222
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 25496285
N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26004666
N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 43035945
4-(8-methyl-4-oxoquinazolin-3-yl)butanoate
CID 9167242
N-[2-(4-ethoxyphenoxy)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 24559975
N-[(4-fluorophenyl)methyl]-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46474620
N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)propanamide
CID 46550537
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 41439109
N-[1-(4-fluorophenyl)ethyl]-N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 18121933
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 55662614
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27823117

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-methylphenoxy)ethyl]butanamide?
The IUPAC name of N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-methylphenoxy)ethyl]butanamide (CID 31949527) is N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-methylphenoxy)ethyl]butanamide.
What is the SMILES notation for N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-methylphenoxy)ethyl]butanamide?
The canonical SMILES for N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-methylphenoxy)ethyl]butanamide is Cc1ccc(OCCN(C)C(=O)CCCn2cnc3c(C)cccc3c2=O)cc1.
What is the InChIKey of N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-methylphenoxy)ethyl]butanamide?
The InChIKey is WNUQIRPSTAYEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17-9-11-19(12-10-17)29-15-14-25(3)21(27)8-5-13-26-16-24-22-18(2)6-4-7-20(22)23(26)28/h4,6-7,9-12,16H,5,8,13-15H2,1-3H3.
What are the key properties of N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-methylphenoxy)ethyl]butanamide?
N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-methylphenoxy)ethyl]butanamide has a molecular weight of 393.49 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-methylphenoxy)ethyl]butanamide is sourced from PubChem (CID 31949527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).