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

C19H27N3O3 — CID 78328368

IUPAC6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)hexanamide
SMILESCC(C)CCNC(=O)CCCCCN1C(=O)N=C2C=CC=CC2C1=O
InChIInChI=1S/C19H27N3O3/c1-14(2)11-12-20-17(23)10-4-3-7-13-22-18(24)15-8-5-6-9-16(15)21-19(22)25/h5-6,8-9,14-15H,3-4,7,10-13H2,1-2H3,(H,20,23)
InChIKeyIBDILZBYCFOJLC-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.85
Rot. Bonds9

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

6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)hexanamide (PubChem CID 78328368) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)hexanamide.

Molecular Properties

Compound Name6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)hexanamide
PubChem CID78328368
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)hexanamide
SMILESCC(C)CCNC(=O)CCCCCN1C(=O)N=C2C=CC=CC2C1=O
InChIInChI=1S/C19H27N3O3/c1-14(2)11-12-20-17(23)10-4-3-7-13-22-18(24)15-8-5-6-9-16(15)21-19(22)25/h5-6,8-9,14-15H,3-4,7,10-13H2,1-2H3,(H,20,23)
InChIKeyIBDILZBYCFOJLC-UHFFFAOYSA-N
XLogP2.85
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.85
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

N-butyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide
CID 78341563
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
4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide
CID 121327484
3-(2,4-dioxo-4aH-quinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 78328408
N-[(2-methoxyphenyl)methyl]-6-(4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)hexanamide
CID 78343273
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
3-(2-chloroethyl)-4aH-quinazoline-2,4-dione
CID 71650918
methyl 3-[6-[(4-methoxyphenyl)methylamino]-6-oxohexyl]-2,4-dioxo-4aH-quinazoline-7-carboxylate
CID 78341846

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)hexanamide?
The IUPAC name of 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)hexanamide (CID 78328368) is 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)hexanamide.
What is the SMILES notation for 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)hexanamide?
The canonical SMILES for 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)hexanamide is CC(C)CCNC(=O)CCCCCN1C(=O)N=C2C=CC=CC2C1=O.
What is the InChIKey of 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)hexanamide?
The InChIKey is IBDILZBYCFOJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(2)11-12-20-17(23)10-4-3-7-13-22-18(24)15-8-5-6-9-16(15)21-19(22)25/h5-6,8-9,14-15H,3-4,7,10-13H2,1-2H3,(H,20,23).
What are the key properties of 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)hexanamide?
6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)hexanamide has a molecular weight of 345.44 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(3-methylbutyl)hexanamide is sourced from PubChem (CID 78328368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).