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

C30H31N3O3 — CID 50762695

IUPACN-cyclohexyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
SMILESCc1ccccc1Cn1c(=O)n(-c2ccc(CC(=O)NC3CCCCC3)cc2)c(=O)c2ccccc21
InChIInChI=1S/C30H31N3O3/c1-21-9-5-6-10-23(21)20-32-27-14-8-7-13-26(27)29(35)33(30(32)36)25-17-15-22(16-18-25)19-28(34)31-24-11-3-2-4-12-24/h5-10,13-18,24H,2-4,11-12,19-20H2,1H3,(H,31,34)
InChIKeyQLBGHRGFUKBHES-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.50
Rot. Bonds6

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

N-cyclohexyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide (PubChem CID 50762695) has the molecular formula C30H31N3O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
PubChem CID50762695
Molecular FormulaC30H31N3O3
Molecular Weight481.60 g/mol
Exact Mass481.24
IUPAC NameN-cyclohexyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
SMILESCc1ccccc1Cn1c(=O)n(-c2ccc(CC(=O)NC3CCCCC3)cc2)c(=O)c2ccccc21
InChIInChI=1S/C30H31N3O3/c1-21-9-5-6-10-23(21)20-32-27-14-8-7-13-26(27)29(35)33(30(32)36)25-17-15-22(16-18-25)19-28(34)31-24-11-3-2-4-12-24/h5-10,13-18,24H,2-4,11-12,19-20H2,1H3,(H,31,34)
InChIKeyQLBGHRGFUKBHES-UHFFFAOYSA-N
XLogP4.50
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762632
N-cyclohexyl-2-[4-[1-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762459
N-(4-methylphenyl)-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762645
2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-pentylacetamide
CID 50762542
N-cyclopentyl-3-[2-[(2-methylphenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide
CID 53199900
3-[4-[2-(azepan-1-yl)-2-oxoethyl]phenyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 50762535
2-[4-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763349
N-cyclopropyl-2-[4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762553
N-cyclooctyl-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 22110617
2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide
CID 50763110
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-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 12005191

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide (CID 50762695) is N-cyclohexyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide is Cc1ccccc1Cn1c(=O)n(-c2ccc(CC(=O)NC3CCCCC3)cc2)c(=O)c2ccccc21.
What is the InChIKey of N-cyclohexyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide?
The InChIKey is QLBGHRGFUKBHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O3/c1-21-9-5-6-10-23(21)20-32-27-14-8-7-13-26(27)29(35)33(30(32)36)25-17-15-22(16-18-25)19-28(34)31-24-11-3-2-4-12-24/h5-10,13-18,24H,2-4,11-12,19-20H2,1H3,(H,31,34).
What are the key properties of N-cyclohexyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide?
N-cyclohexyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide has a molecular weight of 481.60 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide is sourced from PubChem (CID 50762695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).