4-[3-ethoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-6-methylquinazoline

C18H21N5O — CID 166284186

IUPAC4-[3-ethoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-6-methylquinazoline
SMILESCCOC1(c2nccn2C)CN(c2ncnc3ccc(C)cc23)C1
InChIInChI=1S/C18H21N5O/c1-4-24-18(17-19-7-8-22(17)3)10-23(11-18)16-14-9-13(2)5-6-15(14)20-12-21-16/h5-9,12H,4,10-11H2,1-3H3
InChIKeyQFBWRLCMDMSEAO-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.42
Rot. Bonds4

About 4-[3-ethoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-6-methylquinazoline

4-[3-ethoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-6-methylquinazoline (PubChem CID 166284186) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[3-ethoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-6-methylquinazoline.

Molecular Properties

Compound Name4-[3-ethoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-6-methylquinazoline
PubChem CID166284186
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-[3-ethoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-6-methylquinazoline
SMILESCCOC1(c2nccn2C)CN(c2ncnc3ccc(C)cc23)C1
InChIInChI=1S/C18H21N5O/c1-4-24-18(17-19-7-8-22(17)3)10-23(11-18)16-14-9-13(2)5-6-15(14)20-12-21-16/h5-9,12H,4,10-11H2,1-3H3
InChIKeyQFBWRLCMDMSEAO-UHFFFAOYSA-N
XLogP2.42
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Resiquimod
CID 159603
4-[2-[(1-Methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-yl]morpholine
CID 71203902
4-Methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline
CID 71543930
(R)-2-(2-methoxypyrimidin-5-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 46890430
N-(5-Methoxypyrazin-2-yl)-N,2-dimethylquinazolin-4-amine
CID 42625913
5-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N,N-diethylpyridin-2-amine
CID 137550121
N,N-diethyl-5-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]pyridin-2-amine
CID 137550199
4-[5-[1-(4-Fluorophenyl)-2-methylimidazo[4,5-c]quinolin-8-yl]pyrimidin-2-yl]morpholine
CID 168283226
6-chloro-N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-amine
CID 165414875
N,N-dimethyl-2-[2-(1-phenylimidazol-2-yl)ethyl]quinazolin-4-amine
CID 165414979
4-(2-Pyridin-2-ylquinazolin-4-yl)morpholine
CID 661949
4-[2-(9-Methyl-6-indolo[3,2-b]quinoxalinyl)ethyl]morpholine
CID 976690

Frequently Asked Questions

What is the IUPAC name of 4-[3-ethoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-6-methylquinazoline?
The IUPAC name of 4-[3-ethoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-6-methylquinazoline (CID 166284186) is 4-[3-ethoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-6-methylquinazoline.
What is the SMILES notation for 4-[3-ethoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-6-methylquinazoline?
The canonical SMILES for 4-[3-ethoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-6-methylquinazoline is CCOC1(c2nccn2C)CN(c2ncnc3ccc(C)cc23)C1.
What is the InChIKey of 4-[3-ethoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-6-methylquinazoline?
The InChIKey is QFBWRLCMDMSEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-4-24-18(17-19-7-8-22(17)3)10-23(11-18)16-14-9-13(2)5-6-15(14)20-12-21-16/h5-9,12H,4,10-11H2,1-3H3.
What are the key properties of 4-[3-ethoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-6-methylquinazoline?
4-[3-ethoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-6-methylquinazoline has a molecular weight of 323.40 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-6-methylquinazoline is sourced from PubChem (CID 166284186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).