N-[4-(3-fluoroazetidin-1-yl)cyclohexyl]-6-methylquinazolin-4-amine

C18H23FN4 — CID 121255023

IUPACN-[4-(3-fluoroazetidin-1-yl)cyclohexyl]-6-methylquinazolin-4-amine
SMILESCc1ccc2ncnc(NC3CCC(N4CC(F)C4)CC3)c2c1
InChIInChI=1S/C18H23FN4/c1-12-2-7-17-16(8-12)18(21-11-20-17)22-14-3-5-15(6-4-14)23-9-13(19)10-23/h2,7-8,11,13-15H,3-6,9-10H2,1H3,(H,20,21,22)
InChIKeyJIDDHNOKRRFMJW-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.32
Rot. Bonds3

About N-[4-(3-fluoroazetidin-1-yl)cyclohexyl]-6-methylquinazolin-4-amine

N-[4-(3-fluoroazetidin-1-yl)cyclohexyl]-6-methylquinazolin-4-amine (PubChem CID 121255023) has the molecular formula C18H23FN4 and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[4-(3-fluoroazetidin-1-yl)cyclohexyl]-6-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[4-(3-fluoroazetidin-1-yl)cyclohexyl]-6-methylquinazolin-4-amine
PubChem CID121255023
Molecular FormulaC18H23FN4
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC NameN-[4-(3-fluoroazetidin-1-yl)cyclohexyl]-6-methylquinazolin-4-amine
SMILESCc1ccc2ncnc(NC3CCC(N4CC(F)C4)CC3)c2c1
InChIInChI=1S/C18H23FN4/c1-12-2-7-17-16(8-12)18(21-11-20-17)22-14-3-5-15(6-4-14)23-9-13(19)10-23/h2,7-8,11,13-15H,3-6,9-10H2,1H3,(H,20,21,22)
InChIKeyJIDDHNOKRRFMJW-UHFFFAOYSA-N
XLogP3.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluoroazetidin-1-yl)cyclohexyl]-6-methylquinazolin-4-amine?
The IUPAC name of N-[4-(3-fluoroazetidin-1-yl)cyclohexyl]-6-methylquinazolin-4-amine (CID 121255023) is N-[4-(3-fluoroazetidin-1-yl)cyclohexyl]-6-methylquinazolin-4-amine.
What is the SMILES notation for N-[4-(3-fluoroazetidin-1-yl)cyclohexyl]-6-methylquinazolin-4-amine?
The canonical SMILES for N-[4-(3-fluoroazetidin-1-yl)cyclohexyl]-6-methylquinazolin-4-amine is Cc1ccc2ncnc(NC3CCC(N4CC(F)C4)CC3)c2c1.
What is the InChIKey of N-[4-(3-fluoroazetidin-1-yl)cyclohexyl]-6-methylquinazolin-4-amine?
The InChIKey is JIDDHNOKRRFMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4/c1-12-2-7-17-16(8-12)18(21-11-20-17)22-14-3-5-15(6-4-14)23-9-13(19)10-23/h2,7-8,11,13-15H,3-6,9-10H2,1H3,(H,20,21,22).
What are the key properties of N-[4-(3-fluoroazetidin-1-yl)cyclohexyl]-6-methylquinazolin-4-amine?
N-[4-(3-fluoroazetidin-1-yl)cyclohexyl]-6-methylquinazolin-4-amine has a molecular weight of 314.41 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoroazetidin-1-yl)cyclohexyl]-6-methylquinazolin-4-amine is sourced from PubChem (CID 121255023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).