N-butyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide

C18H25N3O3 — CID 78341563

IUPACN-butyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide
SMILESCCCCNC(=O)CCCCCN1C(=O)N=C2C=CC=CC2C1=O
InChIInChI=1S/C18H25N3O3/c1-2-3-12-19-16(22)11-5-4-8-13-21-17(23)14-9-6-7-10-15(14)20-18(21)24/h6-7,9-10,14H,2-5,8,11-13H2,1H3,(H,19,22)
InChIKeyMFWWTCQKQRQHEM-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.61
Rot. Bonds9

About N-butyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide

N-butyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide (PubChem CID 78341563) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-butyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide.

Molecular Properties

Compound NameN-butyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide
PubChem CID78341563
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-butyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide
SMILESCCCCNC(=O)CCCCCN1C(=O)N=C2C=CC=CC2C1=O
InChIInChI=1S/C18H25N3O3/c1-2-3-12-19-16(22)11-5-4-8-13-21-17(23)14-9-6-7-10-15(14)20-18(21)24/h6-7,9-10,14H,2-5,8,11-13H2,1H3,(H,19,22)
InChIKeyMFWWTCQKQRQHEM-UHFFFAOYSA-N
XLogP2.61
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)hexanamide
CID 78328368
6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-prop-2-enylhexanamide
CID 78326031
6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]hexanamide
CID 78328371
3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(2-methoxyethyl)propanamide
CID 78328124
N-butan-2-yl-6-(4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)hexanamide
CID 78330377
methyl 3-(2,4-dioxo-4aH-quinazolin-3-yl)propanoate
CID 73255473
3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 78328408
N-[3-(2,4-dioxo-4aH-quinazolin-3-yl)propyl]-N-[4-[3-(2,4-dioxo-4aH-quinazolin-3-yl)propylamino]butyl]acetamide
CID 74957923
4-(6-bromo-4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)-N-butylbutanamide
CID 78350755
3-(2-chloroethyl)-4aH-quinazoline-2,4-dione
CID 71650918
methyl 3-[6-(butan-2-ylamino)-6-oxohexyl]-2,4-dioxo-4aH-quinazoline-7-carboxylate
CID 78328118
N-[6-oxo-6-(6-oxocyclohexa-2,4-dien-1-yl)hexyl]nonanamide
CID 140997111

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide?
The IUPAC name of N-butyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide (CID 78341563) is N-butyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide.
What is the SMILES notation for N-butyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide?
The canonical SMILES for N-butyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide is CCCCNC(=O)CCCCCN1C(=O)N=C2C=CC=CC2C1=O.
What is the InChIKey of N-butyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide?
The InChIKey is MFWWTCQKQRQHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-2-3-12-19-16(22)11-5-4-8-13-21-17(23)14-9-6-7-10-15(14)20-18(21)24/h6-7,9-10,14H,2-5,8,11-13H2,1H3,(H,19,22).
What are the key properties of N-butyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide?
N-butyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide has a molecular weight of 331.42 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide is sourced from PubChem (CID 78341563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).