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

C20H27N3O3 — CID 78341559

IUPACN-cyclohexyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)N=C2C=CC=CC2C1=O)NC1CCCCC1
InChIInChI=1S/C20H27N3O3/c24-18(21-15-9-3-1-4-10-15)13-5-2-8-14-23-19(25)16-11-6-7-12-17(16)22-20(23)26/h6-7,11-12,15-16H,1-5,8-10,13-14H2,(H,21,24)
InChIKeyBCTRTXFSDSTHLJ-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.14
Rot. Bonds7

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

N-cyclohexyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide (PubChem CID 78341559) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-cyclohexyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide
PubChem CID78341559
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-cyclohexyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide
SMILESO=C(CCCCCN1C(=O)N=C2C=CC=CC2C1=O)NC1CCCCC1
InChIInChI=1S/C20H27N3O3/c24-18(21-15-9-3-1-4-10-15)13-5-2-8-14-23-19(25)16-11-6-7-12-17(16)22-20(23)26/h6-7,11-12,15-16H,1-5,8-10,13-14H2,(H,21,24)
InChIKeyBCTRTXFSDSTHLJ-UHFFFAOYSA-N
XLogP3.14
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide?
The IUPAC name of N-cyclohexyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide (CID 78341559) is N-cyclohexyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide.
What is the SMILES notation for N-cyclohexyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide?
The canonical SMILES for N-cyclohexyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide is O=C(CCCCCN1C(=O)N=C2C=CC=CC2C1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide?
The InChIKey is BCTRTXFSDSTHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c24-18(21-15-9-3-1-4-10-15)13-5-2-8-14-23-19(25)16-11-6-7-12-17(16)22-20(23)26/h6-7,11-12,15-16H,1-5,8-10,13-14H2,(H,21,24).
What are the key properties of N-cyclohexyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide?
N-cyclohexyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide has a molecular weight of 357.45 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(2,4-dioxo-4aH-quinazolin-3-yl)hexanamide is sourced from PubChem (CID 78341559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).