N-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclohexyl]quinoline-6-carboxamide

C23H29N3O3 — CID 169421424

IUPACN-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclohexyl]quinoline-6-carboxamide
SMILESC[C@@H]1CN(C(=O)C2CCC(NC(=O)c3ccc4ncccc4c3)CC2)C[C@H](C)O1
InChIInChI=1S/C23H29N3O3/c1-15-13-26(14-16(2)29-15)23(28)17-5-8-20(9-6-17)25-22(27)19-7-10-21-18(12-19)4-3-11-24-21/h3-4,7,10-12,15-17,20H,5-6,8-9,13-14H2,1-2H3,(H,25,27)/t15-,16+,17?,20?
InChIKeyXDZAKVHEWSWCGS-HLVUACMISA-N
MW395.50 g/mol
LogP3.16
Rot. Bonds3

About N-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclohexyl]quinoline-6-carboxamide

N-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclohexyl]quinoline-6-carboxamide (PubChem CID 169421424) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclohexyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclohexyl]quinoline-6-carboxamide
PubChem CID169421424
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclohexyl]quinoline-6-carboxamide
SMILESC[C@@H]1CN(C(=O)C2CCC(NC(=O)c3ccc4ncccc4c3)CC2)C[C@H](C)O1
InChIInChI=1S/C23H29N3O3/c1-15-13-26(14-16(2)29-15)23(28)17-5-8-20(9-6-17)25-22(27)19-7-10-21-18(12-19)4-3-11-24-21/h3-4,7,10-12,15-17,20H,5-6,8-9,13-14H2,1-2H3,(H,25,27)/t15-,16+,17?,20?
InChIKeyXDZAKVHEWSWCGS-HLVUACMISA-N
XLogP3.16
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclohexyl]quinoline-6-carboxamide with MolForge

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Related Compounds

N-(4-methylcyclohexyl)quinoline-6-carboxamide
CID 22136406
N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 79688925
N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide
CID 115881808
N-cyclopropyl-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26693977
6-oxo-N-(4-quinolin-6-yloxycyclohexyl)pyran-3-carboxamide
CID 176505850
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]quinoline-6-carboxamide
CID 110128202
ethane;quinoline-6-carboxylic acid
CID 91364452
methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate
CID 78988205
N-cyclopropyl-3-methylbenzimidazole-5-carboxamide
CID 110469101
N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride
CID 119620989
N-pyridin-4-ylquinoline-6-carboxamide
CID 53313330
cyclopropyl-[3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]methanone
CID 71927362

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclohexyl]quinoline-6-carboxamide?
The IUPAC name of N-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclohexyl]quinoline-6-carboxamide (CID 169421424) is N-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclohexyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclohexyl]quinoline-6-carboxamide?
The canonical SMILES for N-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclohexyl]quinoline-6-carboxamide is C[C@@H]1CN(C(=O)C2CCC(NC(=O)c3ccc4ncccc4c3)CC2)C[C@H](C)O1.
What is the InChIKey of N-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclohexyl]quinoline-6-carboxamide?
The InChIKey is XDZAKVHEWSWCGS-HLVUACMISA-N. The full InChI is InChI=1S/C23H29N3O3/c1-15-13-26(14-16(2)29-15)23(28)17-5-8-20(9-6-17)25-22(27)19-7-10-21-18(12-19)4-3-11-24-21/h3-4,7,10-12,15-17,20H,5-6,8-9,13-14H2,1-2H3,(H,25,27)/t15-,16+,17?,20?.
What are the key properties of N-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclohexyl]quinoline-6-carboxamide?
N-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclohexyl]quinoline-6-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclohexyl]quinoline-6-carboxamide is sourced from PubChem (CID 169421424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).