(2R)-2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one

C25H26N6O2 — CID 93076551

IUPAC(2R)-2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
SMILESCc1cccc(-c2nnc(-c3nc(N[C@H](C)C(=O)N4CCCCC4)c4ccccc4n3)o2)c1
InChIInChI=1S/C25H26N6O2/c1-16-9-8-10-18(15-16)23-29-30-24(33-23)22-27-20-12-5-4-11-19(20)21(28-22)26-17(2)25(32)31-13-6-3-7-14-31/h4-5,8-12,15,17H,3,6-7,13-14H2,1-2H3,(H,26,27,28)/t17-/m1/s1
InChIKeyDMNMJVCMJIOJGD-QGZVFWFLSA-N
MW442.52 g/mol
LogP4.47
Rot. Bonds5

About (2R)-2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one

(2R)-2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 93076551) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is (2R)-2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
PubChem CID93076551
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name(2R)-2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
SMILESCc1cccc(-c2nnc(-c3nc(N[C@H](C)C(=O)N4CCCCC4)c4ccccc4n3)o2)c1
InChIInChI=1S/C25H26N6O2/c1-16-9-8-10-18(15-16)23-29-30-24(33-23)22-27-20-12-5-4-11-19(20)21(28-22)26-17(2)25(32)31-13-6-3-7-14-31/h4-5,8-12,15,17H,3,6-7,13-14H2,1-2H3,(H,26,27,28)/t17-/m1/s1
InChIKeyDMNMJVCMJIOJGD-QGZVFWFLSA-N
XLogP4.47
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one (CID 93076551) is (2R)-2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one is Cc1cccc(-c2nnc(-c3nc(N[C@H](C)C(=O)N4CCCCC4)c4ccccc4n3)o2)c1.
What is the InChIKey of (2R)-2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is DMNMJVCMJIOJGD-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-16-9-8-10-18(15-16)23-29-30-24(33-23)22-27-20-12-5-4-11-19(20)21(28-22)26-17(2)25(32)31-13-6-3-7-14-31/h4-5,8-12,15,17H,3,6-7,13-14H2,1-2H3,(H,26,27,28)/t17-/m1/s1.
What are the key properties of (2R)-2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one?
(2R)-2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 442.52 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-yl]amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 93076551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).