4-[4-(azetidin-1-yl)-3-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]quinolin-8-yl]benzamide

C30H31N5O2 — CID 144929615

IUPAC4-[4-(azetidin-1-yl)-3-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]quinolin-8-yl]benzamide
SMILESCC1CN(c2ccc(-c3cnc4c(-c5ccc(C(N)=O)cc5)cccc4c3N3CCC3)cn2)CC(C)O1
InChIInChI=1S/C30H31N5O2/c1-19-17-35(18-20(2)37-19)27-12-11-23(15-32-27)26-16-33-28-24(21-7-9-22(10-8-21)30(31)36)5-3-6-25(28)29(26)34-13-4-14-34/h3,5-12,15-16,19-20H,4,13-14,17-18H2,1-2H3,(H2,31,36)
InChIKeyWJWYMEDQMOJLNI-UHFFFAOYSA-N
MW493.61 g/mol
LogP4.89
Rot. Bonds5

About 4-[4-(azetidin-1-yl)-3-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]quinolin-8-yl]benzamide

4-[4-(azetidin-1-yl)-3-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]quinolin-8-yl]benzamide (PubChem CID 144929615) has the molecular formula C30H31N5O2 and a molecular weight of 493.61 g/mol. Its IUPAC name is 4-[4-(azetidin-1-yl)-3-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]quinolin-8-yl]benzamide.

Molecular Properties

Compound Name4-[4-(azetidin-1-yl)-3-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]quinolin-8-yl]benzamide
PubChem CID144929615
Molecular FormulaC30H31N5O2
Molecular Weight493.61 g/mol
Exact Mass493.25
IUPAC Name4-[4-(azetidin-1-yl)-3-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]quinolin-8-yl]benzamide
SMILESCC1CN(c2ccc(-c3cnc4c(-c5ccc(C(N)=O)cc5)cccc4c3N3CCC3)cn2)CC(C)O1
InChIInChI=1S/C30H31N5O2/c1-19-17-35(18-20(2)37-19)27-12-11-23(15-32-27)26-16-33-28-24(21-7-9-22(10-8-21)30(31)36)5-3-6-25(28)29(26)34-13-4-14-34/h3,5-12,15-16,19-20H,4,13-14,17-18H2,1-2H3,(H2,31,36)
InChIKeyWJWYMEDQMOJLNI-UHFFFAOYSA-N
XLogP4.89
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(azetidin-1-yl)-3-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]quinolin-8-yl]benzamide?
The IUPAC name of 4-[4-(azetidin-1-yl)-3-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]quinolin-8-yl]benzamide (CID 144929615) is 4-[4-(azetidin-1-yl)-3-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]quinolin-8-yl]benzamide.
What is the SMILES notation for 4-[4-(azetidin-1-yl)-3-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]quinolin-8-yl]benzamide?
The canonical SMILES for 4-[4-(azetidin-1-yl)-3-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]quinolin-8-yl]benzamide is CC1CN(c2ccc(-c3cnc4c(-c5ccc(C(N)=O)cc5)cccc4c3N3CCC3)cn2)CC(C)O1.
What is the InChIKey of 4-[4-(azetidin-1-yl)-3-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]quinolin-8-yl]benzamide?
The InChIKey is WJWYMEDQMOJLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O2/c1-19-17-35(18-20(2)37-19)27-12-11-23(15-32-27)26-16-33-28-24(21-7-9-22(10-8-21)30(31)36)5-3-6-25(28)29(26)34-13-4-14-34/h3,5-12,15-16,19-20H,4,13-14,17-18H2,1-2H3,(H2,31,36).
What are the key properties of 4-[4-(azetidin-1-yl)-3-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]quinolin-8-yl]benzamide?
4-[4-(azetidin-1-yl)-3-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]quinolin-8-yl]benzamide has a molecular weight of 493.61 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(azetidin-1-yl)-3-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]quinolin-8-yl]benzamide is sourced from PubChem (CID 144929615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).