2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-pentylacetamide

C29H31N3O3 — CID 50762542

IUPAC2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3C)c2=O)cc1
InChIInChI=1S/C29H31N3O3/c1-3-4-9-18-30-27(33)19-22-14-16-24(17-15-22)32-28(34)25-12-7-8-13-26(25)31(29(32)35)20-23-11-6-5-10-21(23)2/h5-8,10-17H,3-4,9,18-20H2,1-2H3,(H,30,33)
InChIKeyQEUZMJJXDZJLQV-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.36
Rot. Bonds9

About 2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-pentylacetamide

2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-pentylacetamide (PubChem CID 50762542) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is 2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-pentylacetamide.

Molecular Properties

Compound Name2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-pentylacetamide
PubChem CID50762542
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC Name2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3C)c2=O)cc1
InChIInChI=1S/C29H31N3O3/c1-3-4-9-18-30-27(33)19-22-14-16-24(17-15-22)32-28(34)25-12-7-8-13-26(25)31(29(32)35)20-23-11-6-5-10-21(23)2/h5-8,10-17H,3-4,9,18-20H2,1-2H3,(H,30,33)
InChIKeyQEUZMJJXDZJLQV-UHFFFAOYSA-N
XLogP4.36
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762632
2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-butylacetamide
CID 42585859
N-(4-methylphenyl)-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762645
N-butyl-2-[4-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762582
2-[4-[1-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-pentylacetamide
CID 50762709
N-cyclohexyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762695
2-[4-(1-benzyl-2,4-dioxoquinazolin-3-yl)phenyl]-N-(2-methoxyethyl)acetamide
CID 27371130
N-[(4-methylphenyl)methyl]-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]phenyl]acetamide
CID 22428354
2-[4-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763349
2-[4-[1-[2-(2,5-difluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-propylacetamide
CID 50763323
N-[(4-methylphenyl)methyl]-4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]butanamide
CID 15989582
N-butyl-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetamide
CID 3600020

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-pentylacetamide?
The IUPAC name of 2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-pentylacetamide (CID 50762542) is 2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-pentylacetamide.
What is the SMILES notation for 2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-pentylacetamide?
The canonical SMILES for 2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-pentylacetamide is CCCCCNC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3C)c2=O)cc1.
What is the InChIKey of 2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-pentylacetamide?
The InChIKey is QEUZMJJXDZJLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-3-4-9-18-30-27(33)19-22-14-16-24(17-15-22)32-28(34)25-12-7-8-13-26(25)31(29(32)35)20-23-11-6-5-10-21(23)2/h5-8,10-17H,3-4,9,18-20H2,1-2H3,(H,30,33).
What are the key properties of 2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-pentylacetamide?
2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-pentylacetamide has a molecular weight of 469.59 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-pentylacetamide is sourced from PubChem (CID 50762542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).