N-butyl-3-[1-[(2,5-dimethylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]propanamide

C24H29N3O3 — CID 12005244

IUPACN-butyl-3-[1-[(2,5-dimethylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]propanamide
SMILESCCCCNC(=O)CCn1c(=O)c2ccccc2n(Cc2cc(C)ccc2C)c1=O
InChIInChI=1S/C24H29N3O3/c1-4-5-13-25-22(28)12-14-26-23(29)20-8-6-7-9-21(20)27(24(26)30)16-19-15-17(2)10-11-18(19)3/h6-11,15H,4-5,12-14,16H2,1-3H3,(H,25,28)
InChIKeySBGYTDRGYXNOOP-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.13
Rot. Bonds8

About N-butyl-3-[1-[(2,5-dimethylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]propanamide

N-butyl-3-[1-[(2,5-dimethylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]propanamide (PubChem CID 12005244) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-butyl-3-[1-[(2,5-dimethylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]propanamide.

Molecular Properties

Compound NameN-butyl-3-[1-[(2,5-dimethylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]propanamide
PubChem CID12005244
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-butyl-3-[1-[(2,5-dimethylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]propanamide
SMILESCCCCNC(=O)CCn1c(=O)c2ccccc2n(Cc2cc(C)ccc2C)c1=O
InChIInChI=1S/C24H29N3O3/c1-4-5-13-25-22(28)12-14-26-23(29)20-8-6-7-9-21(20)27(24(26)30)16-19-15-17(2)10-11-18(19)3/h6-11,15H,4-5,12-14,16H2,1-3H3,(H,25,28)
InChIKeySBGYTDRGYXNOOP-UHFFFAOYSA-N
XLogP3.13
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-butyl-3-[1-[(2,5-dimethylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[1-[(2,5-dimethylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]propanamide?
The IUPAC name of N-butyl-3-[1-[(2,5-dimethylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]propanamide (CID 12005244) is N-butyl-3-[1-[(2,5-dimethylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]propanamide.
What is the SMILES notation for N-butyl-3-[1-[(2,5-dimethylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]propanamide?
The canonical SMILES for N-butyl-3-[1-[(2,5-dimethylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]propanamide is CCCCNC(=O)CCn1c(=O)c2ccccc2n(Cc2cc(C)ccc2C)c1=O.
What is the InChIKey of N-butyl-3-[1-[(2,5-dimethylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]propanamide?
The InChIKey is SBGYTDRGYXNOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-4-5-13-25-22(28)12-14-26-23(29)20-8-6-7-9-21(20)27(24(26)30)16-19-15-17(2)10-11-18(19)3/h6-11,15H,4-5,12-14,16H2,1-3H3,(H,25,28).
What are the key properties of N-butyl-3-[1-[(2,5-dimethylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]propanamide?
N-butyl-3-[1-[(2,5-dimethylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]propanamide has a molecular weight of 407.51 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[1-[(2,5-dimethylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]propanamide is sourced from PubChem (CID 12005244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).