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

C26H28FN5O3 — CID 144584578

IUPACN-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;2-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnco2)c1.O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC1CCCCC1
InChIInChI=1S/C18H23N3O2.C8H5FN2O/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;9-7-3-1-2-6(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
InChIKeyGHNWSRVFZLJKJB-UHFFFAOYSA-N
MW477.54 g/mol
LogP4.57
Rot. Bonds6

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

N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;2-(3-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 144584578) has the molecular formula C26H28FN5O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;2-(3-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;2-(3-fluorophenyl)-1,3,4-oxadiazole
PubChem CID144584578
Molecular FormulaC26H28FN5O3
Molecular Weight477.54 g/mol
Exact Mass477.22
IUPAC NameN-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;2-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnco2)c1.O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC1CCCCC1
InChIInChI=1S/C18H23N3O2.C8H5FN2O/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;9-7-3-1-2-6(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
InChIKeyGHNWSRVFZLJKJB-UHFFFAOYSA-N
XLogP4.57
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;1H-pyridin-4-one
CID 144584648
N-(3-fluorophenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135756626
2-[4-[4-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 136628963
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135904863
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135890799
N-[(3-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137292595
1-cycloheptyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 47033580
2-(3-fluorophenoxy)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide
CID 136767922
N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
N-(3-aminopropyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide;hydrochloride
CID 137098154
N-cyclopropyl-2-[3-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 36993349
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137192277

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;2-(3-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;2-(3-fluorophenyl)-1,3,4-oxadiazole (CID 144584578) is N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;2-(3-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;2-(3-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;2-(3-fluorophenyl)-1,3,4-oxadiazole is Fc1cccc(-c2nnco2)c1.O=C(CCCc1nc2ccccc2c(=O)[nH]1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;2-(3-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is GHNWSRVFZLJKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.C8H5FN2O/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;9-7-3-1-2-6(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 N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;2-(3-fluorophenyl)-1,3,4-oxadiazole?
N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;2-(3-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 477.54 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide;2-(3-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 144584578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).