6-fluoro-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]quinazoline

C18H20FN5 — CID 163352972

IUPAC6-fluoro-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]quinazoline
SMILESCC(C)c1nccn1CC1CN(c2ncnc3ccc(F)cc23)C1
InChIInChI=1S/C18H20FN5/c1-12(2)17-20-5-6-23(17)8-13-9-24(10-13)18-15-7-14(19)3-4-16(15)21-11-22-18/h3-7,11-13H,8-10H2,1-2H3
InChIKeyRXRFGOXPUGRASE-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.23
Rot. Bonds4

About 6-fluoro-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]quinazoline

6-fluoro-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]quinazoline (PubChem CID 163352972) has the molecular formula C18H20FN5 and a molecular weight of 325.39 g/mol. Its IUPAC name is 6-fluoro-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]quinazoline.

Molecular Properties

Compound Name6-fluoro-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]quinazoline
PubChem CID163352972
Molecular FormulaC18H20FN5
Molecular Weight325.39 g/mol
Exact Mass325.17
IUPAC Name6-fluoro-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]quinazoline
SMILESCC(C)c1nccn1CC1CN(c2ncnc3ccc(F)cc23)C1
InChIInChI=1S/C18H20FN5/c1-12(2)17-20-5-6-23(17)8-13-9-24(10-13)18-15-7-14(19)3-4-16(15)21-11-22-18/h3-7,11-13H,8-10H2,1-2H3
InChIKeyRXRFGOXPUGRASE-UHFFFAOYSA-N
XLogP3.23
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]thieno[2,3-d]pyrimidine
CID 163352974
4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 163351002
3-[[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942420
6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
4-cyclopropyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine
CID 163351027
6-fluoro-4-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]quinazoline
CID 133331936
2,4-dimethyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine
CID 163350969
6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline
CID 126891860
4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-2-carbonitrile
CID 163351014
6-fluoro-4-[3-(3-methoxypropoxy)azetidin-1-yl]quinazoline
CID 133429803
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N-methylpyridin-2-amine
CID 155976434
2-[[1-(6-fluoroquinazolin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928446

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]quinazoline?
The IUPAC name of 6-fluoro-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]quinazoline (CID 163352972) is 6-fluoro-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]quinazoline.
What is the SMILES notation for 6-fluoro-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]quinazoline?
The canonical SMILES for 6-fluoro-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]quinazoline is CC(C)c1nccn1CC1CN(c2ncnc3ccc(F)cc23)C1.
What is the InChIKey of 6-fluoro-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]quinazoline?
The InChIKey is RXRFGOXPUGRASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5/c1-12(2)17-20-5-6-23(17)8-13-9-24(10-13)18-15-7-14(19)3-4-16(15)21-11-22-18/h3-7,11-13H,8-10H2,1-2H3.
What are the key properties of 6-fluoro-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]quinazoline?
6-fluoro-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]quinazoline has a molecular weight of 325.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]quinazoline is sourced from PubChem (CID 163352972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).