6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-8-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline

C22H26N4O5S — CID 176913009

IUPAC6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-8-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline
SMILESCOc1cc(-c2cc(OC3CCN(S(C)(=O)=O)CC3)c3ncnc(C)c3c2)cnc1OC
InChIInChI=1S/C22H26N4O5S/c1-14-18-9-15(16-11-20(29-2)22(30-3)23-12-16)10-19(21(18)25-13-24-14)31-17-5-7-26(8-6-17)32(4,27)28/h9-13,17H,5-8H2,1-4H3
InChIKeyAJCATOHEOMHAKJ-UHFFFAOYSA-N
MW458.54 g/mol
LogP2.82
Rot. Bonds6

About 6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-8-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline

6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-8-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline (PubChem CID 176913009) has the molecular formula C22H26N4O5S and a molecular weight of 458.54 g/mol. Its IUPAC name is 6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-8-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline.

Molecular Properties

Compound Name6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-8-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline
PubChem CID176913009
Molecular FormulaC22H26N4O5S
Molecular Weight458.54 g/mol
Exact Mass458.16
IUPAC Name6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-8-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline
SMILESCOc1cc(-c2cc(OC3CCN(S(C)(=O)=O)CC3)c3ncnc(C)c3c2)cnc1OC
InChIInChI=1S/C22H26N4O5S/c1-14-18-9-15(16-11-20(29-2)22(30-3)23-12-16)10-19(21(18)25-13-24-14)31-17-5-7-26(8-6-17)32(4,27)28/h9-13,17H,5-8H2,1-4H3
InChIKeyAJCATOHEOMHAKJ-UHFFFAOYSA-N
XLogP2.82
TPSA103.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 176912998
(4-fluorophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene
CID 177376240
[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]-phenyldiazene
CID 177376237
(2-bromophenyl)-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]diazene
CID 177376243
N-[5-[2-amino-4-methyl-8-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 135197556
2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 135197569
N-[(2,4-difluorophenyl)-methylidene-oxo-λ6-sulfanyl]-2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]pyridin-3-amine
CID 167602403
6-chloro-4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)oxypyridazine
CID 146636294
6-(3-fluorophenyl)-8-(1-methylsulfonylpiperidin-4-yl)oxyisoquinoline
CID 59535143
4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine
CID 90245774
N-[5-[8-(difluoromethoxy)-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 135197573
6-(5-fluoropyrimidin-2-yl)-8-methoxy-4-methylquinazoline
CID 155354002

Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-8-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline?
The IUPAC name of 6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-8-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline (CID 176913009) is 6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-8-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline.
What is the SMILES notation for 6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-8-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline?
The canonical SMILES for 6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-8-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline is COc1cc(-c2cc(OC3CCN(S(C)(=O)=O)CC3)c3ncnc(C)c3c2)cnc1OC.
What is the InChIKey of 6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-8-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline?
The InChIKey is AJCATOHEOMHAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S/c1-14-18-9-15(16-11-20(29-2)22(30-3)23-12-16)10-19(21(18)25-13-24-14)31-17-5-7-26(8-6-17)32(4,27)28/h9-13,17H,5-8H2,1-4H3.
What are the key properties of 6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-8-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline?
6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-8-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline has a molecular weight of 458.54 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-8-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline is sourced from PubChem (CID 176913009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).