7,8-difluoro-4-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline

C16H15F2N5 — CID 166284165

IUPAC7,8-difluoro-4-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline
SMILESFc1ccc2c(N3CCC[C@@H]3Cn3ccnc3)ncnc2c1F
InChIInChI=1S/C16H15F2N5/c17-13-4-3-12-15(14(13)18)20-9-21-16(12)23-6-1-2-11(23)8-22-7-5-19-10-22/h3-5,7,9-11H,1-2,6,8H2/t11-/m1/s1
InChIKeyJMOIGXPLSRKFJC-LLVKDONJSA-N
MW315.33 g/mol
LogP2.77
Rot. Bonds3

About 7,8-difluoro-4-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline

7,8-difluoro-4-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline (PubChem CID 166284165) has the molecular formula C16H15F2N5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 7,8-difluoro-4-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline.

Molecular Properties

Compound Name7,8-difluoro-4-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline
PubChem CID166284165
Molecular FormulaC16H15F2N5
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name7,8-difluoro-4-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline
SMILESFc1ccc2c(N3CCC[C@@H]3Cn3ccnc3)ncnc2c1F
InChIInChI=1S/C16H15F2N5/c17-13-4-3-12-15(14(13)18)20-9-21-16(12)23-6-1-2-11(23)8-22-7-5-19-10-22/h3-5,7,9-11H,1-2,6,8H2/t11-/m1/s1
InChIKeyJMOIGXPLSRKFJC-LLVKDONJSA-N
XLogP2.77
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3,5-difluorophenyl)pyrrolidin-1-yl]-7,8-difluoroquinazoline
CID 166384673
2-[(2S)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 100689453
4-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline
CID 95338499
4-ethyl-5-fluoro-6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 75438009
1-[[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]imidazole
CID 99825694
1-[[1-[2-nitro-4-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methyl]imidazole
CID 133336647
1-[[1-(4-bromo-2-nitrophenyl)pyrrolidin-2-yl]methyl]imidazole
CID 133336652
(2R)-N-[(4-chloro-2-fluorophenyl)methyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 124619820
1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-2-amine
CID 112748054
1-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]imidazole
CID 99825714
6-pyridin-3-yl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126925767
2-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126926318

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-4-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline?
The IUPAC name of 7,8-difluoro-4-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline (CID 166284165) is 7,8-difluoro-4-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline.
What is the SMILES notation for 7,8-difluoro-4-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline?
The canonical SMILES for 7,8-difluoro-4-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline is Fc1ccc2c(N3CCC[C@@H]3Cn3ccnc3)ncnc2c1F.
What is the InChIKey of 7,8-difluoro-4-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline?
The InChIKey is JMOIGXPLSRKFJC-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15F2N5/c17-13-4-3-12-15(14(13)18)20-9-21-16(12)23-6-1-2-11(23)8-22-7-5-19-10-22/h3-5,7,9-11H,1-2,6,8H2/t11-/m1/s1.
What are the key properties of 7,8-difluoro-4-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline?
7,8-difluoro-4-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline has a molecular weight of 315.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-4-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]quinazoline is sourced from PubChem (CID 166284165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).