N-butyl-4-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide

C18H25N3O5 — CID 22423308

IUPACN-butyl-4-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide
SMILESCCCCNC(=O)CCCn1c(=O)[nH]c2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C18H25N3O5/c1-4-5-8-19-16(22)7-6-9-21-17(23)12-10-14(25-2)15(26-3)11-13(12)20-18(21)24/h10-11H,4-9H2,1-3H3,(H,19,22)(H,20,24)
InChIKeyCEAQEQXDJXVCBS-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.40
Rot. Bonds9

About N-butyl-4-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide

N-butyl-4-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide (PubChem CID 22423308) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is N-butyl-4-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-butyl-4-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide
PubChem CID22423308
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC NameN-butyl-4-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide
SMILESCCCCNC(=O)CCCn1c(=O)[nH]c2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C18H25N3O5/c1-4-5-8-19-16(22)7-6-9-21-17(23)12-10-14(25-2)15(26-3)11-13(12)20-18(21)24/h10-11H,4-9H2,1-3H3,(H,19,22)(H,20,24)
InChIKeyCEAQEQXDJXVCBS-UHFFFAOYSA-N
XLogP1.40
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.40
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

6-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)hexanamide
CID 15988281
methyl 3-[6-(butylamino)-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 4091974
N-[(3-chlorophenyl)methyl]-4-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 46506231
6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione
CID 94075074
3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 46506321
3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 15993854
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
N-cycloheptyl-4-(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 22588192
N-(3,4-dimethoxyphenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4909918
3-(2-anilinoethyl)-6,7-dimethoxy-1H-quinazoline-2,4-dione
CID 66502564
methyl 2,4-dioxo-3-[6-oxo-6-(3-propan-2-yloxypropylamino)hexyl]-1H-quinazoline-7-carboxylate
CID 22588150

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The IUPAC name of N-butyl-4-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide (CID 22423308) is N-butyl-4-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide.
What is the SMILES notation for N-butyl-4-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The canonical SMILES for N-butyl-4-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide is CCCCNC(=O)CCCn1c(=O)[nH]c2cc(OC)c(OC)cc2c1=O.
What is the InChIKey of N-butyl-4-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide?
The InChIKey is CEAQEQXDJXVCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-4-5-8-19-16(22)7-6-9-21-17(23)12-10-14(25-2)15(26-3)11-13(12)20-18(21)24/h10-11H,4-9H2,1-3H3,(H,19,22)(H,20,24).
What are the key properties of N-butyl-4-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide?
N-butyl-4-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide has a molecular weight of 363.41 g/mol, XLogP of 1.40, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide is sourced from PubChem (CID 22423308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).