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

C21H22ClN3O4 — CID 4905483

IUPACN-(3-chloro-4-methoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
SMILESCOc1ccc(NC(=O)CCCCCn2c(=O)[nH]c3ccccc3c2=O)cc1Cl
InChIInChI=1S/C21H22ClN3O4/c1-29-18-11-10-14(13-16(18)22)23-19(26)9-3-2-6-12-25-20(27)15-7-4-5-8-17(15)24-21(25)28/h4-5,7-8,10-11,13H,2-3,6,9,12H2,1H3,(H,23,26)(H,24,28)
InChIKeyBLUSEUHWMOCRFA-UHFFFAOYSA-N
MW415.88 g/mol
LogP3.55
Rot. Bonds8

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

N-(3-chloro-4-methoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide (PubChem CID 4905483) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
PubChem CID4905483
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC NameN-(3-chloro-4-methoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
SMILESCOc1ccc(NC(=O)CCCCCn2c(=O)[nH]c3ccccc3c2=O)cc1Cl
InChIInChI=1S/C21H22ClN3O4/c1-29-18-11-10-14(13-16(18)22)23-19(26)9-3-2-6-12-25-20(27)15-7-4-5-8-17(15)24-21(25)28/h4-5,7-8,10-11,13H,2-3,6,9,12H2,1H3,(H,23,26)(H,24,28)
InChIKeyBLUSEUHWMOCRFA-UHFFFAOYSA-N
XLogP3.55
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
CID 4905587
N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4302111
N-(2,5-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4902769
4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)butanamide
CID 4091041
N-(3-chloro-4-methoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 86997374
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(1,3-benzodioxol-5-yl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
CID 4904247
N-(3-chlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4973826
N-(3,5-dichlorophenyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4904089
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)butanamide
CID 42506632

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide (CID 4905483) is N-(3-chloro-4-methoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide is COc1ccc(NC(=O)CCCCCn2c(=O)[nH]c3ccccc3c2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide?
The InChIKey is BLUSEUHWMOCRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c1-29-18-11-10-14(13-16(18)22)23-19(26)9-3-2-6-12-25-20(27)15-7-4-5-8-17(15)24-21(25)28/h4-5,7-8,10-11,13H,2-3,6,9,12H2,1H3,(H,23,26)(H,24,28).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide?
N-(3-chloro-4-methoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide has a molecular weight of 415.88 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide is sourced from PubChem (CID 4905483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).