3-[2-(1-ethylpiperidin-4-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one

C20H29N3O4 — CID 171388425

IUPAC3-[2-(1-ethylpiperidin-4-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
SMILESCCN1CCC(CCn2cnc3c(OC)c(OC)c(OC)cc3c2=O)CC1
InChIInChI=1S/C20H29N3O4/c1-5-22-9-6-14(7-10-22)8-11-23-13-21-17-15(20(23)24)12-16(25-2)18(26-3)19(17)27-4/h12-14H,5-11H2,1-4H3
InChIKeyZWMPCPWUJSQCFV-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.54
Rot. Bonds7

About 3-[2-(1-ethylpiperidin-4-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one

3-[2-(1-ethylpiperidin-4-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one (PubChem CID 171388425) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-[2-(1-ethylpiperidin-4-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one.

Molecular Properties

Compound Name3-[2-(1-ethylpiperidin-4-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
PubChem CID171388425
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name3-[2-(1-ethylpiperidin-4-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
SMILESCCN1CCC(CCn2cnc3c(OC)c(OC)c(OC)cc3c2=O)CC1
InChIInChI=1S/C20H29N3O4/c1-5-22-9-6-14(7-10-22)8-11-23-13-21-17-15(20(23)24)12-16(25-2)18(26-3)19(17)27-4/h12-14H,5-11H2,1-4H3
InChIKeyZWMPCPWUJSQCFV-UHFFFAOYSA-N
XLogP2.54
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6,7,8-trimethoxy-3-(oxan-4-ylmethyl)quinazolin-4-one
CID 171389522
3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171910792
3-[2-(4-hydroxyphenyl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171913415
3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171388321
6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one
CID 171916232
3-[3-(1H-imidazol-2-yl)propyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171912180
3-(cyclohexen-1-ylmethyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171916483
6,7,8-trimethoxy-3-[(5-methylthiophen-2-yl)methyl]quinazolin-4-one
CID 171386238
3-[2-(benzotriazol-1-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one
CID 171385492
3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171910845
6,7,8-trimethoxy-3-[[1-(2-methylpropyl)cyclobutyl]methyl]quinazolin-4-one
CID 171914116
6,7,8-trimethoxy-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]quinazolin-4-one
CID 171915041

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-ethylpiperidin-4-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one?
The IUPAC name of 3-[2-(1-ethylpiperidin-4-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one (CID 171388425) is 3-[2-(1-ethylpiperidin-4-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one.
What is the SMILES notation for 3-[2-(1-ethylpiperidin-4-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one?
The canonical SMILES for 3-[2-(1-ethylpiperidin-4-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one is CCN1CCC(CCn2cnc3c(OC)c(OC)c(OC)cc3c2=O)CC1.
What is the InChIKey of 3-[2-(1-ethylpiperidin-4-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one?
The InChIKey is ZWMPCPWUJSQCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-5-22-9-6-14(7-10-22)8-11-23-13-21-17-15(20(23)24)12-16(25-2)18(26-3)19(17)27-4/h12-14H,5-11H2,1-4H3.
What are the key properties of 3-[2-(1-ethylpiperidin-4-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one?
3-[2-(1-ethylpiperidin-4-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one has a molecular weight of 375.47 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-ethylpiperidin-4-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-one is sourced from PubChem (CID 171388425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).