N-butyl-2-[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide

C24H29N3O5S — CID 4069677

IUPACN-butyl-2-[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCCCCNC(=O)CSc1nc2cc(OC)c(OC)cc2c(=O)n1Cc1ccc(OC)cc1
InChIInChI=1S/C24H29N3O5S/c1-5-6-11-25-22(28)15-33-24-26-19-13-21(32-4)20(31-3)12-18(19)23(29)27(24)14-16-7-9-17(30-2)10-8-16/h7-10,12-13H,5-6,11,14-15H2,1-4H3,(H,25,28)
InChIKeyZGCMJYFQRROZSY-UHFFFAOYSA-N
MW471.58 g/mol
LogP3.48
Rot. Bonds11

About N-butyl-2-[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide

N-butyl-2-[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 4069677) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is N-butyl-2-[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-butyl-2-[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID4069677
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC NameN-butyl-2-[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCCCCNC(=O)CSc1nc2cc(OC)c(OC)cc2c(=O)n1Cc1ccc(OC)cc1
InChIInChI=1S/C24H29N3O5S/c1-5-6-11-25-22(28)15-33-24-26-19-13-21(32-4)20(31-3)12-18(19)23(29)27(24)14-16-7-9-17(30-2)10-8-16/h7-10,12-13H,5-6,11,14-15H2,1-4H3,(H,25,28)
InChIKeyZGCMJYFQRROZSY-UHFFFAOYSA-N
XLogP3.48
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6,7-Bis(2-methoxyethoxy)quinazolin-4(3H)-one
CID 135409305
N-(6,7-dimethoxy-4-oxo-1,4-dihydroquinazolin-2-yl)benzamide
CID 135399549
6,7-Dimethoxy-3H-quinazolin-4-one
CID 135495016
7-Benzyloxy-6-methoxy-3H-quinazolin-4-one
CID 135404718
7-Methoxy-6-(3-morpholin-4-yl-propoxy)-3H-quinazolin-4-one
CID 135399673
2-({2-[(3R)-3-aminopiperidin-1-yl]-6,7-dimethoxy-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)benzonitrile
CID 16658105
Ethyl 2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3-hydroquinazolin-2-ylthio}ace tate
CID 1071945
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(6-{[(diethylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide
CID 16033809
2-(3-benzyl-6,7-dimethoxy-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 168271630
2-(3-benzyl-6,7-dimethoxy-4-oxoquinazolin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 168275744
3-Ethyl-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 2105619
N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide
CID 2810066

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-butyl-2-[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 4069677) is N-butyl-2-[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-butyl-2-[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-butyl-2-[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide is CCCCNC(=O)CSc1nc2cc(OC)c(OC)cc2c(=O)n1Cc1ccc(OC)cc1.
What is the InChIKey of N-butyl-2-[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is ZGCMJYFQRROZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-5-6-11-25-22(28)15-33-24-26-19-13-21(32-4)20(31-3)12-18(19)23(29)27(24)14-16-7-9-17(30-2)10-8-16/h7-10,12-13H,5-6,11,14-15H2,1-4H3,(H,25,28).
What are the key properties of N-butyl-2-[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-butyl-2-[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 471.58 g/mol, XLogP of 3.48, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[6,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 4069677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).