2,4-dimethyl-N-[1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-yl]quinoline-6-carboxamide

C22H25N5O2 — CID 135126264

IUPAC2,4-dimethyl-N-[1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-yl]quinoline-6-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NC3CN(c4ncc(OC(C)C)cn4)C3)ccc2n1
InChIInChI=1S/C22H25N5O2/c1-13(2)29-18-9-23-22(24-10-18)27-11-17(12-27)26-21(28)16-5-6-20-19(8-16)14(3)7-15(4)25-20/h5-10,13,17H,11-12H2,1-4H3,(H,26,28)
InChIKeyRFZUNTGHEKPKHH-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.05
Rot. Bonds5

About 2,4-dimethyl-N-[1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-yl]quinoline-6-carboxamide

2,4-dimethyl-N-[1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-yl]quinoline-6-carboxamide (PubChem CID 135126264) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-yl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-yl]quinoline-6-carboxamide
PubChem CID135126264
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2,4-dimethyl-N-[1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-yl]quinoline-6-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NC3CN(c4ncc(OC(C)C)cn4)C3)ccc2n1
InChIInChI=1S/C22H25N5O2/c1-13(2)29-18-9-23-22(24-10-18)27-11-17(12-27)26-21(28)16-5-6-20-19(8-16)14(3)7-15(4)25-20/h5-10,13,17H,11-12H2,1-4H3,(H,26,28)
InChIKeyRFZUNTGHEKPKHH-UHFFFAOYSA-N
XLogP3.05
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-yl]quinoline-6-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-yl]quinoline-6-carboxamide (CID 135126264) is 2,4-dimethyl-N-[1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-yl]quinoline-6-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-yl]quinoline-6-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-yl]quinoline-6-carboxamide is Cc1cc(C)c2cc(C(=O)NC3CN(c4ncc(OC(C)C)cn4)C3)ccc2n1.
What is the InChIKey of 2,4-dimethyl-N-[1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-yl]quinoline-6-carboxamide?
The InChIKey is RFZUNTGHEKPKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-13(2)29-18-9-23-22(24-10-18)27-11-17(12-27)26-21(28)16-5-6-20-19(8-16)14(3)7-15(4)25-20/h5-10,13,17H,11-12H2,1-4H3,(H,26,28).
What are the key properties of 2,4-dimethyl-N-[1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-yl]quinoline-6-carboxamide?
2,4-dimethyl-N-[1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-yl]quinoline-6-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-(5-propan-2-yloxypyrimidin-2-yl)azetidin-3-yl]quinoline-6-carboxamide is sourced from PubChem (CID 135126264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).