N-[(2-methoxyphenyl)methyl]-4-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)butanamide

C26H27N3O3S — CID 24555447

IUPACN-[(2-methoxyphenyl)methyl]-4-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)butanamide
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)CCCn1cnc2c(C)cccc2c1=O
InChIInChI=1S/C26H27N3O3S/c1-19-8-5-11-22-25(19)27-18-28(26(22)31)14-6-13-24(30)29(17-21-10-7-15-33-21)16-20-9-3-4-12-23(20)32-2/h3-5,7-12,15,18H,6,13-14,16-17H2,1-2H3
InChIKeyNELFYLAIOYKBCM-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.78
Rot. Bonds9

About N-[(2-methoxyphenyl)methyl]-4-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)butanamide

N-[(2-methoxyphenyl)methyl]-4-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 24555447) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)butanamide
PubChem CID24555447
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)butanamide
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)CCCn1cnc2c(C)cccc2c1=O
InChIInChI=1S/C26H27N3O3S/c1-19-8-5-11-22-25(19)27-18-28(26(22)31)14-6-13-24(30)29(17-21-10-7-15-33-21)16-20-9-3-4-12-23(20)32-2/h3-5,7-12,15,18H,6,13-14,16-17H2,1-2H3
InChIKeyNELFYLAIOYKBCM-UHFFFAOYSA-N
XLogP4.78
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 17497766
N-[(2-methoxyphenyl)methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 55383844
3-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 119268847
4-(8-methyl-4-oxoquinazolin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide
CID 24555681
N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 134034593
2-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119268849
6-acetamido-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)hexanamide
CID 55332875
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-methoxyphenyl)methyl]-2-(methylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 119685026
N-benzyl-N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147978
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 17499347

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)butanamide (CID 24555447) is N-[(2-methoxyphenyl)methyl]-4-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)butanamide is COc1ccccc1CN(Cc1cccs1)C(=O)CCCn1cnc2c(C)cccc2c1=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is NELFYLAIOYKBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S/c1-19-8-5-11-22-25(19)27-18-28(26(22)31)14-6-13-24(30)29(17-21-10-7-15-33-21)16-20-9-3-4-12-23(20)32-2/h3-5,7-12,15,18H,6,13-14,16-17H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)butanamide?
N-[(2-methoxyphenyl)methyl]-4-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 461.59 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 24555447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).