4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-3-phenylmorpholine

C28H32N6O4S — CID 129165873

IUPAC4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-3-phenylmorpholine
SMILESCc1noc(C)c1-c1ccc2nc(N3CCN(S(C)(=O)=O)CC3)nc(N3CCOCC3c3ccccc3)c2c1
InChIInChI=1S/C28H32N6O4S/c1-19-26(20(2)38-31-19)22-9-10-24-23(17-22)27(34-15-16-37-18-25(34)21-7-5-4-6-8-21)30-28(29-24)32-11-13-33(14-12-32)39(3,35)36/h4-10,17,25H,11-16,18H2,1-3H3
InChIKeyXFRRLBGRJOAYMK-UHFFFAOYSA-N
MW548.67 g/mol
LogP3.56
Rot. Bonds5

About 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-3-phenylmorpholine

4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-3-phenylmorpholine (PubChem CID 129165873) has the molecular formula C28H32N6O4S and a molecular weight of 548.67 g/mol. Its IUPAC name is 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-3-phenylmorpholine.

Molecular Properties

Compound Name4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-3-phenylmorpholine
PubChem CID129165873
Molecular FormulaC28H32N6O4S
Molecular Weight548.67 g/mol
Exact Mass548.22
IUPAC Name4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-3-phenylmorpholine
SMILESCc1noc(C)c1-c1ccc2nc(N3CCN(S(C)(=O)=O)CC3)nc(N3CCOCC3c3ccccc3)c2c1
InChIInChI=1S/C28H32N6O4S/c1-19-26(20(2)38-31-19)22-9-10-24-23(17-22)27(34-15-16-37-18-25(34)21-7-5-4-6-8-21)30-28(29-24)32-11-13-33(14-12-32)39(3,35)36/h4-10,17,25H,11-16,18H2,1-3H3
InChIKeyXFRRLBGRJOAYMK-UHFFFAOYSA-N
XLogP3.56
TPSA104.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.67
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine
CID 129165840
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylazetidin-3-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide
CID 129166244
6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-phenylmorpholin-4-yl)-N-(thiazetidin-3-yl)quinazoline-2-carboxamide
CID 175355937
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpyrrolidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 129165841
tert-butyl (3S)-4-[2-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]-3-phenylpiperazine-1-carboxylate
CID 140931630
5-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one
CID 135361130
4-[2-(1,2-dihydropyridin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine
CID 175898224
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylmorpholine
CID 53054322
N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-thiomorpholin-4-ylquinazolin-4-amine
CID 129166146
2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]piperazin-1-yl]ethanol
CID 129165794
2-[1-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]piperidin-4-yl]ethanol
CID 129165868
2,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one
CID 137205106

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-3-phenylmorpholine?
The IUPAC name of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-3-phenylmorpholine (CID 129165873) is 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-3-phenylmorpholine.
What is the SMILES notation for 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-3-phenylmorpholine?
The canonical SMILES for 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-3-phenylmorpholine is Cc1noc(C)c1-c1ccc2nc(N3CCN(S(C)(=O)=O)CC3)nc(N3CCOCC3c3ccccc3)c2c1.
What is the InChIKey of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-3-phenylmorpholine?
The InChIKey is XFRRLBGRJOAYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O4S/c1-19-26(20(2)38-31-19)22-9-10-24-23(17-22)27(34-15-16-37-18-25(34)21-7-5-4-6-8-21)30-28(29-24)32-11-13-33(14-12-32)39(3,35)36/h4-10,17,25H,11-16,18H2,1-3H3.
What are the key properties of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-3-phenylmorpholine?
4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-3-phenylmorpholine has a molecular weight of 548.67 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-3-phenylmorpholine is sourced from PubChem (CID 129165873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).