4-(3-cyclobutylazetidin-1-yl)-6,7-dimethylquinazoline

C17H21N3 — CID 154757784

IUPAC4-(3-cyclobutylazetidin-1-yl)-6,7-dimethylquinazoline
SMILESCc1cc2ncnc(N3CC(C4CCC4)C3)c2cc1C
InChIInChI=1S/C17H21N3/c1-11-6-15-16(7-12(11)2)18-10-19-17(15)20-8-14(9-20)13-4-3-5-13/h6-7,10,13-14H,3-5,8-9H2,1-2H3
InChIKeyMIKKJLCUTWWZIB-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.48
Rot. Bonds2

About 4-(3-cyclobutylazetidin-1-yl)-6,7-dimethylquinazoline

4-(3-cyclobutylazetidin-1-yl)-6,7-dimethylquinazoline (PubChem CID 154757784) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-(3-cyclobutylazetidin-1-yl)-6,7-dimethylquinazoline.

Molecular Properties

Compound Name4-(3-cyclobutylazetidin-1-yl)-6,7-dimethylquinazoline
PubChem CID154757784
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name4-(3-cyclobutylazetidin-1-yl)-6,7-dimethylquinazoline
SMILESCc1cc2ncnc(N3CC(C4CCC4)C3)c2cc1C
InChIInChI=1S/C17H21N3/c1-11-6-15-16(7-12(11)2)18-10-19-17(15)20-8-14(9-20)13-4-3-5-13/h6-7,10,13-14H,3-5,8-9H2,1-2H3
InChIKeyMIKKJLCUTWWZIB-UHFFFAOYSA-N
XLogP3.48
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]propanoic acid
CID 167574720
2-(6-chloro-5-methylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115561001
6-bromo-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)quinazoline
CID 175652074
2-[1-(6,7-dimethylquinazolin-4-yl)piperidin-4-yl]ethyl-methylphosphinic acid
CID 170032979
6,7-dimethyl-4-[(3R)-3-phenylpiperazin-1-yl]quinazoline
CID 143607812
2-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]ethanamine
CID 160817800
6,7-dimethyl-4-[4-[2-(sulfamoylamino)ethyl]azepan-1-yl]quinazoline
CID 159739862
(3aS,9aS,9bS)-2-(6,7-difluoroquinazolin-4-yl)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizine
CID 129425843
4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrido[3,4-d]pyrimidine
CID 126931937
6,7-dimethoxy-4-[3-(triazol-2-yl)azetidin-1-yl]quinazoline
CID 165435774
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
6-methyl-4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5H-pyrrolo[3,2-d]pyrimidine
CID 126934198

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclobutylazetidin-1-yl)-6,7-dimethylquinazoline?
The IUPAC name of 4-(3-cyclobutylazetidin-1-yl)-6,7-dimethylquinazoline (CID 154757784) is 4-(3-cyclobutylazetidin-1-yl)-6,7-dimethylquinazoline.
What is the SMILES notation for 4-(3-cyclobutylazetidin-1-yl)-6,7-dimethylquinazoline?
The canonical SMILES for 4-(3-cyclobutylazetidin-1-yl)-6,7-dimethylquinazoline is Cc1cc2ncnc(N3CC(C4CCC4)C3)c2cc1C.
What is the InChIKey of 4-(3-cyclobutylazetidin-1-yl)-6,7-dimethylquinazoline?
The InChIKey is MIKKJLCUTWWZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-11-6-15-16(7-12(11)2)18-10-19-17(15)20-8-14(9-20)13-4-3-5-13/h6-7,10,13-14H,3-5,8-9H2,1-2H3.
What are the key properties of 4-(3-cyclobutylazetidin-1-yl)-6,7-dimethylquinazoline?
4-(3-cyclobutylazetidin-1-yl)-6,7-dimethylquinazoline has a molecular weight of 267.38 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclobutylazetidin-1-yl)-6,7-dimethylquinazoline is sourced from PubChem (CID 154757784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).