4-ethyl-1-(6,7,8-trimethoxyquinazolin-4-yl)piperidin-4-ol

C18H25N3O4 — CID 86202989

IUPAC4-ethyl-1-(6,7,8-trimethoxyquinazolin-4-yl)piperidin-4-ol
SMILESCCC1(O)CCN(c2ncnc3c(OC)c(OC)c(OC)cc23)CC1
InChIInChI=1S/C18H25N3O4/c1-5-18(22)6-8-21(9-7-18)17-12-10-13(23-2)15(24-3)16(25-4)14(12)19-11-20-17/h10-11,22H,5-9H2,1-4H3
InChIKeyLCWXULZJMUEBJE-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.40
Rot. Bonds5

About 4-ethyl-1-(6,7,8-trimethoxyquinazolin-4-yl)piperidin-4-ol

4-ethyl-1-(6,7,8-trimethoxyquinazolin-4-yl)piperidin-4-ol (PubChem CID 86202989) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-ethyl-1-(6,7,8-trimethoxyquinazolin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-ethyl-1-(6,7,8-trimethoxyquinazolin-4-yl)piperidin-4-ol
PubChem CID86202989
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name4-ethyl-1-(6,7,8-trimethoxyquinazolin-4-yl)piperidin-4-ol
SMILESCCC1(O)CCN(c2ncnc3c(OC)c(OC)c(OC)cc23)CC1
InChIInChI=1S/C18H25N3O4/c1-5-18(22)6-8-21(9-7-18)17-12-10-13(23-2)15(24-3)16(25-4)14(12)19-11-20-17/h10-11,22H,5-9H2,1-4H3
InChIKeyLCWXULZJMUEBJE-UHFFFAOYSA-N
XLogP2.40
TPSA76.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(azepan-1-yl)-6,7,8-trimethoxyquinazoline
CID 110433392
4-(3,5-dimethylpiperidin-1-yl)-6,7,8-trimethoxyquinazoline
CID 110433380
6,7,8-trimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)quinazoline;dihydrochloride
CID 19605811
N-(4-nitrophenyl)-4-(6,7,8-trimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707512
4-[(cyclopropylsulfonimidoyl)methyl]-1-(8-methoxyquinazolin-4-yl)piperidin-4-ol
CID 157040738
4-(benzimidazol-1-yl)-6,7,8-trimethoxyquinazoline
CID 110435786
4-benzyl-1-(5,6,7-trimethoxyphthalazin-1-yl)piperidin-4-ol
CID 24877105
6,7,8-trimethoxy-N,N-dimethylquinazolin-4-amine
CID 110433384
1-(6,7-dimethoxyisoquinolin-1-yl)-3-ethylazetidin-3-ol
CID 106541497
2,6-bis(pyrrolidin-1-ylmethyl)-4-[(6,7,8-trimethoxyquinazolin-4-yl)amino]phenol
CID 13362495
2-[2-hydroxyethyl-(6,7,8-trimethoxyquinazolin-4-yl)amino]ethanol
CID 110433388
1-[5-methoxy-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol
CID 103358871

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(6,7,8-trimethoxyquinazolin-4-yl)piperidin-4-ol?
The IUPAC name of 4-ethyl-1-(6,7,8-trimethoxyquinazolin-4-yl)piperidin-4-ol (CID 86202989) is 4-ethyl-1-(6,7,8-trimethoxyquinazolin-4-yl)piperidin-4-ol.
What is the SMILES notation for 4-ethyl-1-(6,7,8-trimethoxyquinazolin-4-yl)piperidin-4-ol?
The canonical SMILES for 4-ethyl-1-(6,7,8-trimethoxyquinazolin-4-yl)piperidin-4-ol is CCC1(O)CCN(c2ncnc3c(OC)c(OC)c(OC)cc23)CC1.
What is the InChIKey of 4-ethyl-1-(6,7,8-trimethoxyquinazolin-4-yl)piperidin-4-ol?
The InChIKey is LCWXULZJMUEBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-5-18(22)6-8-21(9-7-18)17-12-10-13(23-2)15(24-3)16(25-4)14(12)19-11-20-17/h10-11,22H,5-9H2,1-4H3.
What are the key properties of 4-ethyl-1-(6,7,8-trimethoxyquinazolin-4-yl)piperidin-4-ol?
4-ethyl-1-(6,7,8-trimethoxyquinazolin-4-yl)piperidin-4-ol has a molecular weight of 347.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(6,7,8-trimethoxyquinazolin-4-yl)piperidin-4-ol is sourced from PubChem (CID 86202989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).