2-(4-chlorophenyl)-1,3,4-oxadiazole;N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide

C26H28ClN5O3 — CID 144584604

IUPAC2-(4-chlorophenyl)-1,3,4-oxadiazole;N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESClc1ccc(-c2nnco2)cc1.O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC1CCCCC1
InChIInChI=1S/C18H23N3O2.C8H5ClN2O/c22-17(19-13-7-2-1-3-8-13)12-6-11-16-20-15-10-5-4-9-14(15)18(23)21-16;9-7-3-1-6(2-4-7)8-11-10-5-12-8/h4-5,9-10,13H,1-3,6-8,11-12H2,(H,19,22)(H,20,21,23);1-5H
InChIKeyTWNUBIAHIXXRFV-UHFFFAOYSA-N
MW494.00 g/mol
LogP5.08
Rot. Bonds6

About 2-(4-chlorophenyl)-1,3,4-oxadiazole;N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide

2-(4-chlorophenyl)-1,3,4-oxadiazole;N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 144584604) has the molecular formula C26H28ClN5O3 and a molecular weight of 494.00 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1,3,4-oxadiazole;N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1,3,4-oxadiazole;N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID144584604
Molecular FormulaC26H28ClN5O3
Molecular Weight494.00 g/mol
Exact Mass493.19
IUPAC Name2-(4-chlorophenyl)-1,3,4-oxadiazole;N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESClc1ccc(-c2nnco2)cc1.O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC1CCCCC1
InChIInChI=1S/C18H23N3O2.C8H5ClN2O/c22-17(19-13-7-2-1-3-8-13)12-6-11-16-20-15-10-5-4-9-14(15)18(23)21-16;9-7-3-1-6(2-4-7)8-11-10-5-12-8/h4-5,9-10,13H,1-3,6-8,11-12H2,(H,19,22)(H,20,21,23);1-5H
InChIKeyTWNUBIAHIXXRFV-UHFFFAOYSA-N
XLogP5.08
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.00
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1,3,4-oxadiazole;N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of 2-(4-chlorophenyl)-1,3,4-oxadiazole;N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 144584604) is 2-(4-chlorophenyl)-1,3,4-oxadiazole;N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-1,3,4-oxadiazole;N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for 2-(4-chlorophenyl)-1,3,4-oxadiazole;N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide is Clc1ccc(-c2nnco2)cc1.O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC1CCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-1,3,4-oxadiazole;N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is TWNUBIAHIXXRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.C8H5ClN2O/c22-17(19-13-7-2-1-3-8-13)12-6-11-16-20-15-10-5-4-9-14(15)18(23)21-16;9-7-3-1-6(2-4-7)8-11-10-5-12-8/h4-5,9-10,13H,1-3,6-8,11-12H2,(H,19,22)(H,20,21,23);1-5H.
What are the key properties of 2-(4-chlorophenyl)-1,3,4-oxadiazole;N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
2-(4-chlorophenyl)-1,3,4-oxadiazole;N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 494.00 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1,3,4-oxadiazole;N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 144584604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).