4-(3,5-dimethylpiperidin-1-yl)-6,7,8-trimethoxyquinazoline

C18H25N3O3 — CID 110433380

IUPAC4-(3,5-dimethylpiperidin-1-yl)-6,7,8-trimethoxyquinazoline
SMILESCOc1cc2c(N3CC(C)CC(C)C3)ncnc2c(OC)c1OC
InChIInChI=1S/C18H25N3O3/c1-11-6-12(2)9-21(8-11)18-13-7-14(22-3)16(23-4)17(24-5)15(13)19-10-20-18/h7,10-12H,6,8-9H2,1-5H3
InChIKeyHGHOIZVXLKJYKS-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.14
Rot. Bonds4

About 4-(3,5-dimethylpiperidin-1-yl)-6,7,8-trimethoxyquinazoline

4-(3,5-dimethylpiperidin-1-yl)-6,7,8-trimethoxyquinazoline (PubChem CID 110433380) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)-6,7,8-trimethoxyquinazoline.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)-6,7,8-trimethoxyquinazoline
PubChem CID110433380
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)-6,7,8-trimethoxyquinazoline
SMILESCOc1cc2c(N3CC(C)CC(C)C3)ncnc2c(OC)c1OC
InChIInChI=1S/C18H25N3O3/c1-11-6-12(2)9-21(8-11)18-13-7-14(22-3)16(23-4)17(24-5)15(13)19-10-20-18/h7,10-12H,6,8-9H2,1-5H3
InChIKeyHGHOIZVXLKJYKS-UHFFFAOYSA-N
XLogP3.14
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azepan-1-yl)-6,7,8-trimethoxyquinazoline
CID 110433392
6,7,8-trimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)quinazoline;dihydrochloride
CID 19605811
4-ethyl-1-(6,7,8-trimethoxyquinazolin-4-yl)piperidin-4-ol
CID 86202989
6,7,8-trimethoxy-4-methylquinazoline
CID 70672853
4-(benzimidazol-1-yl)-6,7,8-trimethoxyquinazoline
CID 110435786
6,7,8-trimethoxy-N,N-dimethylquinazolin-4-amine
CID 110433384
4-(3,5-dimethylpiperidin-1-yl)quinazolin-7-amine
CID 65337141
8-chloro-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5H-pyrimido[5,4-b]indole
CID 940179
2-[6-chloro-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-8-fluoroquinazolin-7-yl]-3-fluorophenol
CID 157251670
N-(4-nitrophenyl)-4-(6,7,8-trimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707512
4-(3,5-dimethylpiperidin-1-yl)-7-methyl-5H-pyrimido[5,4-b]indole
CID 4534736
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5H-pyrimido[5,4-b]indole
CID 930329

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-6,7,8-trimethoxyquinazoline?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-6,7,8-trimethoxyquinazoline (CID 110433380) is 4-(3,5-dimethylpiperidin-1-yl)-6,7,8-trimethoxyquinazoline.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)-6,7,8-trimethoxyquinazoline?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)-6,7,8-trimethoxyquinazoline is COc1cc2c(N3CC(C)CC(C)C3)ncnc2c(OC)c1OC.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)-6,7,8-trimethoxyquinazoline?
The InChIKey is HGHOIZVXLKJYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-11-6-12(2)9-21(8-11)18-13-7-14(22-3)16(23-4)17(24-5)15(13)19-10-20-18/h7,10-12H,6,8-9H2,1-5H3.
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)-6,7,8-trimethoxyquinazoline?
4-(3,5-dimethylpiperidin-1-yl)-6,7,8-trimethoxyquinazoline has a molecular weight of 331.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)-6,7,8-trimethoxyquinazoline is sourced from PubChem (CID 110433380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).