N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-2-thiophen-2-ylacetamide

C27H29N3O2S — CID 42717198

IUPACN-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-2-thiophen-2-ylacetamide
SMILESCCCN(C(=O)Cc1cccs1)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1
InChIInChI=1S/C27H29N3O2S/c1-4-16-29(25(31)18-21-9-8-17-33-21)24(5-2)26-28-23-11-7-6-10-22(23)27(32)30(26)20-14-12-19(3)13-15-20/h6-15,17,24H,4-5,16,18H2,1-3H3
InChIKeyWEZAQXNLAXOVJL-UHFFFAOYSA-N
MW459.62 g/mol
LogP5.69
Rot. Bonds8

About N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-2-thiophen-2-ylacetamide

N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-2-thiophen-2-ylacetamide (PubChem CID 42717198) has the molecular formula C27H29N3O2S and a molecular weight of 459.62 g/mol. Its IUPAC name is N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-2-thiophen-2-ylacetamide
PubChem CID42717198
Molecular FormulaC27H29N3O2S
Molecular Weight459.62 g/mol
Exact Mass459.20
IUPAC NameN-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-2-thiophen-2-ylacetamide
SMILESCCCN(C(=O)Cc1cccs1)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1
InChIInChI=1S/C27H29N3O2S/c1-4-16-29(25(31)18-21-9-8-17-33-21)24(5-2)26-28-23-11-7-6-10-22(23)27(32)30(26)20-14-12-19(3)13-15-20/h6-15,17,24H,4-5,16,18H2,1-3H3
InChIKeyWEZAQXNLAXOVJL-UHFFFAOYSA-N
XLogP5.69
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.62
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
CID 42722880
N-benzyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]thiophene-2-carboxamide
CID 42717251
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 42717222
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
CID 42721875
N-(3-methylbutyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]hexanamide
CID 42717885
N-benzyl-2-methyl-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]propanamide
CID 42717250
ethyl 4-[hexyl-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]amino]-4-oxobutanoate
CID 42717239
ethyl 4-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl-propylamino]-4-oxobutanoate
CID 42722732
N-(3-methoxypropyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]octanamide
CID 5141628
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)benzamide
CID 42717218
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 42718827
N-(2-methoxyethyl)-N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42717584

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-2-thiophen-2-ylacetamide (CID 42717198) is N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-2-thiophen-2-ylacetamide is CCCN(C(=O)Cc1cccs1)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1.
What is the InChIKey of N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-2-thiophen-2-ylacetamide?
The InChIKey is WEZAQXNLAXOVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2S/c1-4-16-29(25(31)18-21-9-8-17-33-21)24(5-2)26-28-23-11-7-6-10-22(23)27(32)30(26)20-14-12-19(3)13-15-20/h6-15,17,24H,4-5,16,18H2,1-3H3.
What are the key properties of N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-2-thiophen-2-ylacetamide?
N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-2-thiophen-2-ylacetamide has a molecular weight of 459.62 g/mol, XLogP of 5.69, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42717198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).