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

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

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Related Compounds

(2S,6R)-4-[5-[4-(azetidin-1-yl)-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine
CID 140791875
4-[5-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine
CID 139470867
4-[4-cyclopropyl-3-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]quinolin-8-yl]benzonitrile
CID 118407567
N-[8-(4-cyanophenyl)-4-methoxyquinolin-3-yl]-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 126509856
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-4-methoxyquinoline-3-carboxamide
CID 140791786
4-[4-chloro-3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-3-pyridinyl]quinolin-8-yl]benzonitrile
CID 118407328
1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide
CID 37320191
1-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide
CID 37320192
N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-(4-hydroxyphenyl)-2-methylbenzamide
CID 71044289
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 37319485
4-[3-[6-[(3R)-4-(2-aminopropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile
CID 126518125
4-[3-[6-[(3R,5S)-4-(2-aminopropanoyl)-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile
CID 126518129

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).