6,7-dimethoxy-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline

C20H23N5O3 — CID 154575992

IUPAC6,7-dimethoxy-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline
SMILESCOc1cc2ncnc(N3CCC(COc4cnccn4)CC3)c2cc1OC
InChIInChI=1S/C20H23N5O3/c1-26-17-9-15-16(10-18(17)27-2)23-13-24-20(15)25-7-3-14(4-8-25)12-28-19-11-21-5-6-22-19/h5-6,9-11,13-14H,3-4,7-8,12H2,1-2H3
InChIKeyALSDVTAICWYRCA-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.73
Rot. Bonds6

About 6,7-dimethoxy-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline

6,7-dimethoxy-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline (PubChem CID 154575992) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline
PubChem CID154575992
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name6,7-dimethoxy-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline
SMILESCOc1cc2ncnc(N3CCC(COc4cnccn4)CC3)c2cc1OC
InChIInChI=1S/C20H23N5O3/c1-26-17-9-15-16(10-18(17)27-2)23-13-24-20(15)25-7-3-14(4-8-25)12-28-19-11-21-5-6-22-19/h5-6,9-11,13-14H,3-4,7-8,12H2,1-2H3
InChIKeyALSDVTAICWYRCA-UHFFFAOYSA-N
XLogP2.73
TPSA82.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine
CID 154575875
4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 154583426
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane
CID 154673008
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid;ethane
CID 157041419
(2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine
CID 155128602
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
1-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-3-methylurea
CID 138468814
2-[1-(6-chloro-7-methoxyquinazolin-4-yl)piperidin-4-yl]ethanethiol
CID 157040643
1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine
CID 154581188
4-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline
CID 163354927
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline?
The IUPAC name of 6,7-dimethoxy-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline (CID 154575992) is 6,7-dimethoxy-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline.
What is the SMILES notation for 6,7-dimethoxy-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline?
The canonical SMILES for 6,7-dimethoxy-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline is COc1cc2ncnc(N3CCC(COc4cnccn4)CC3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline?
The InChIKey is ALSDVTAICWYRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-26-17-9-15-16(10-18(17)27-2)23-13-24-20(15)25-7-3-14(4-8-25)12-28-19-11-21-5-6-22-19/h5-6,9-11,13-14H,3-4,7-8,12H2,1-2H3.
What are the key properties of 6,7-dimethoxy-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline?
6,7-dimethoxy-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline has a molecular weight of 381.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline is sourced from PubChem (CID 154575992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).