N-(5-chloro-2,4-dimethoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide

C22H24ClN3O5 — CID 4905587

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
SMILESCOc1cc(OC)c(NC(=O)CCCCCn2c(=O)[nH]c3ccccc3c2=O)cc1Cl
InChIInChI=1S/C22H24ClN3O5/c1-30-18-13-19(31-2)17(12-15(18)23)24-20(27)10-4-3-7-11-26-21(28)14-8-5-6-9-16(14)25-22(26)29/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyYPSLXKWUBVAICM-UHFFFAOYSA-N
MW445.90 g/mol
LogP3.56
Rot. Bonds9

About N-(5-chloro-2,4-dimethoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide

N-(5-chloro-2,4-dimethoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide (PubChem CID 4905587) has the molecular formula C22H24ClN3O5 and a molecular weight of 445.90 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
PubChem CID4905587
Molecular FormulaC22H24ClN3O5
Molecular Weight445.90 g/mol
Exact Mass445.14
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
SMILESCOc1cc(OC)c(NC(=O)CCCCCn2c(=O)[nH]c3ccccc3c2=O)cc1Cl
InChIInChI=1S/C22H24ClN3O5/c1-30-18-13-19(31-2)17(12-15(18)23)24-20(27)10-4-3-7-11-26-21(28)14-8-5-6-9-16(14)25-22(26)29/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyYPSLXKWUBVAICM-UHFFFAOYSA-N
XLogP3.56
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.90
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
CID 4905483
N-(2,5-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4902769
N-(3-chloro-4-methoxyphenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4908651
N-(3,4-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4909918
N-(5-chloro-2,4-dimethoxyphenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55811394
2-[7-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-2,4-dioxo-1H-quinazolin-3-yl]acetic acid
CID 69043101
N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4302111
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-methylbutanamide
CID 4909904
4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)butanamide
CID 4091041
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 39043523
5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide
CID 119103654
4-[1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylbutanamide
CID 155322951

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide (CID 4905587) is N-(5-chloro-2,4-dimethoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide is COc1cc(OC)c(NC(=O)CCCCCn2c(=O)[nH]c3ccccc3c2=O)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide?
The InChIKey is YPSLXKWUBVAICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O5/c1-30-18-13-19(31-2)17(12-15(18)23)24-20(27)10-4-3-7-11-26-21(28)14-8-5-6-9-16(14)25-22(26)29/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3,(H,24,27)(H,25,29).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide?
N-(5-chloro-2,4-dimethoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide has a molecular weight of 445.90 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide is sourced from PubChem (CID 4905587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).