3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide

C24H32N6O3 — CID 131954185

IUPAC3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide
SMILESO=C(CCC1NC(=O)C2CCCCC2N1)NC1CCC(c2nnc(-c3cccnc3)o2)CC1
InChIInChI=1S/C24H32N6O3/c31-21(12-11-20-27-19-6-2-1-5-18(19)22(32)28-20)26-17-9-7-15(8-10-17)23-29-30-24(33-23)16-4-3-13-25-14-16/h3-4,13-15,17-20,27H,1-2,5-12H2,(H,26,31)(H,28,32)
InChIKeyBLERPAMCXHEWRH-UHFFFAOYSA-N
MW452.56 g/mol
LogP2.66
Rot. Bonds6

About 3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide

3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide (PubChem CID 131954185) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is 3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide
PubChem CID131954185
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC Name3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide
SMILESO=C(CCC1NC(=O)C2CCCCC2N1)NC1CCC(c2nnc(-c3cccnc3)o2)CC1
InChIInChI=1S/C24H32N6O3/c31-21(12-11-20-27-19-6-2-1-5-18(19)22(32)28-20)26-17-9-7-15(8-10-17)23-29-30-24(33-23)16-4-3-13-25-14-16/h3-4,13-15,17-20,27H,1-2,5-12H2,(H,26,31)(H,28,32)
InChIKeyBLERPAMCXHEWRH-UHFFFAOYSA-N
XLogP2.66
TPSA122.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide
CID 136241425
N-(2-phenylphenyl)-8-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)octanamide
CID 137656518
4-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]butanamide
CID 131954087
3-[(4-oxo-4aH-quinazolin-2-yl)sulfanyl]-N-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide
CID 131954173
2-[4-oxo-4-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one
CID 131954066
2-[4-oxo-4-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one
CID 131954067
2-[4-oxo-4-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one
CID 131954073
3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide
CID 131954180
3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide
CID 131954181
N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]cyclopropanecarboxamide
CID 98065187
1-[4-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanone
CID 38030381
1-[[(1S,4S,6S)-3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]-3-propan-2-ylurea
CID 45784149

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide?
The IUPAC name of 3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide (CID 131954185) is 3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide.
What is the SMILES notation for 3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide?
The canonical SMILES for 3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide is O=C(CCC1NC(=O)C2CCCCC2N1)NC1CCC(c2nnc(-c3cccnc3)o2)CC1.
What is the InChIKey of 3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide?
The InChIKey is BLERPAMCXHEWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3/c31-21(12-11-20-27-19-6-2-1-5-18(19)22(32)28-20)26-17-9-7-15(8-10-17)23-29-30-24(33-23)16-4-3-13-25-14-16/h3-4,13-15,17-20,27H,1-2,5-12H2,(H,26,31)(H,28,32).
What are the key properties of 3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide?
3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide has a molecular weight of 452.56 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-N-[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide is sourced from PubChem (CID 131954185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).