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

C24H32N6O3 — CID 131954181

IUPAC3-(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
SMILESO=C(CCC1NC(=O)C2CCCCC2N1)NC1CCC(c2nnc(-c3ccncc3)o2)CC1
InChIInChI=1S/C24H32N6O3/c31-21(10-9-20-27-19-4-2-1-3-18(19)22(32)28-20)26-17-7-5-15(6-8-17)23-29-30-24(33-23)16-11-13-25-14-12-16/h11-15,17-20,27H,1-10H2,(H,26,31)(H,28,32)
InChIKeyNWQSACPMWZFLQR-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-4-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-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide (PubChem CID 131954181) 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-4-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-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide
PubChem CID131954181
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-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide
SMILESO=C(CCC1NC(=O)C2CCCCC2N1)NC1CCC(c2nnc(-c3ccncc3)o2)CC1
InChIInChI=1S/C24H32N6O3/c31-21(10-9-20-27-19-4-2-1-3-18(19)22(32)28-20)26-17-7-5-15(6-8-17)23-29-30-24(33-23)16-11-13-25-14-12-16/h11-15,17-20,27H,1-10H2,(H,26,31)(H,28,32)
InChIKeyNWQSACPMWZFLQR-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-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide with MolForge

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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-4-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-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide (CID 131954181) is 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.
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-4-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-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide is O=C(CCC1NC(=O)C2CCCCC2N1)NC1CCC(c2nnc(-c3ccncc3)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-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide?
The InChIKey is NWQSACPMWZFLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3/c31-21(10-9-20-27-19-4-2-1-3-18(19)22(32)28-20)26-17-7-5-15(6-8-17)23-29-30-24(33-23)16-11-13-25-14-12-16/h11-15,17-20,27H,1-10H2,(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-4-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-4-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-4-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide is sourced from PubChem (CID 131954181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).