6-chloro-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylquinoline-3-carboxamide

C22H23ClN4O2 — CID 55786434

IUPAC6-chloro-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)Nc1ccc(N2CC(C)OC(C)C2)nc1
InChIInChI=1S/C22H23ClN4O2/c1-13-11-27(12-14(2)29-13)21-7-5-18(10-24-21)26-22(28)19-9-16-8-17(23)4-6-20(16)25-15(19)3/h4-10,13-14H,11-12H2,1-3H3,(H,26,28)
InChIKeyCBMXTVBKXSUHBJ-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.46
Rot. Bonds3

About 6-chloro-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylquinoline-3-carboxamide

6-chloro-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylquinoline-3-carboxamide (PubChem CID 55786434) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 6-chloro-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylquinoline-3-carboxamide
PubChem CID55786434
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name6-chloro-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylquinoline-3-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)Nc1ccc(N2CC(C)OC(C)C2)nc1
InChIInChI=1S/C22H23ClN4O2/c1-13-11-27(12-14(2)29-13)21-7-5-18(10-24-21)26-22(28)19-9-16-8-17(23)4-6-20(16)25-15(19)3/h4-10,13-14H,11-12H2,1-3H3,(H,26,28)
InChIKeyCBMXTVBKXSUHBJ-UHFFFAOYSA-N
XLogP4.46
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]acetamide
CID 55786440
1-cyclopropyl-N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2,5-dimethylpyrrole-3-carboxamide
CID 94819448
2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)quinoline-3-carboxamide
CID 86915804
N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]pyrazine-2-carboxamide
CID 95149576
5-cyclopropyl-N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
CID 94775965
2,7-dimethyl-N-(6-piperidin-1-yl-3-pyridinyl)quinoline-3-carboxamide
CID 55651955
5-(benzylsulfamoyl)-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylbenzamide
CID 55844468
N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-3-(4-hydroxyphenyl)-2-methylbenzamide
CID 71044289
6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide
CID 37040651
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-4-(methylsulfamoyl)benzamide
CID 166181004
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 55786497
4-amino-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]quinazoline-7-carboxamide
CID 166243952

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylquinoline-3-carboxamide?
The IUPAC name of 6-chloro-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylquinoline-3-carboxamide (CID 55786434) is 6-chloro-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylquinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylquinoline-3-carboxamide?
The canonical SMILES for 6-chloro-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylquinoline-3-carboxamide is Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1ccc(N2CC(C)OC(C)C2)nc1.
What is the InChIKey of 6-chloro-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylquinoline-3-carboxamide?
The InChIKey is CBMXTVBKXSUHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-13-11-27(12-14(2)29-13)21-7-5-18(10-24-21)26-22(28)19-9-16-8-17(23)4-6-20(16)25-15(19)3/h4-10,13-14H,11-12H2,1-3H3,(H,26,28).
What are the key properties of 6-chloro-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylquinoline-3-carboxamide?
6-chloro-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylquinoline-3-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 55786434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).