1-[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]-1-[(1-methylpiperidin-4-yl)amino]ethanol

C23H34N4O2 — CID 156648965

IUPAC1-[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]-1-[(1-methylpiperidin-4-yl)amino]ethanol
SMILESCc1ccc(N2C[C@@H](C)O[C@@H](C(C)(O)NC3CCN(C)CC3)C2)c2cccnc12
InChIInChI=1S/C23H34N4O2/c1-16-7-8-20(19-6-5-11-24-22(16)19)27-14-17(2)29-21(15-27)23(3,28)25-18-9-12-26(4)13-10-18/h5-8,11,17-18,21,25,28H,9-10,12-15H2,1-4H3/t17-,21-,23?/m1/s1
InChIKeyWDOAAQURVYDZGV-DHIFELSQSA-N
MW398.55 g/mol
LogP2.53
Rot. Bonds4

About 1-[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]-1-[(1-methylpiperidin-4-yl)amino]ethanol

1-[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]-1-[(1-methylpiperidin-4-yl)amino]ethanol (PubChem CID 156648965) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 1-[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]-1-[(1-methylpiperidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]-1-[(1-methylpiperidin-4-yl)amino]ethanol
PubChem CID156648965
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name1-[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]-1-[(1-methylpiperidin-4-yl)amino]ethanol
SMILESCc1ccc(N2C[C@@H](C)O[C@@H](C(C)(O)NC3CCN(C)CC3)C2)c2cccnc12
InChIInChI=1S/C23H34N4O2/c1-16-7-8-20(19-6-5-11-24-22(16)19)27-14-17(2)29-21(15-27)23(3,28)25-18-9-12-26(4)13-10-18/h5-8,11,17-18,21,25,28H,9-10,12-15H2,1-4H3/t17-,21-,23?/m1/s1
InChIKeyWDOAAQURVYDZGV-DHIFELSQSA-N
XLogP2.53
TPSA60.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

US9802918, Example 37
CID 124089597
2-[4-[(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl]-3-(3-fluorophenyl)quinolin-6-yl]-4-methylpyridin-3-amine
CID 139299815
5-[4-[(4aR)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazin-6-yl]-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-1,7a-dihydrobenzimidazol-2-one
CID 146676565
5-[4-[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazin-6-yl]-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-4-aminopyridine-3-carbonitrile
CID 146676595
2-[4-[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazin-6-yl]-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-4-methylpyridin-3-amine
CID 146676598
5-[4-[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazin-6-yl]-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-4-(2-methoxyethylamino)pyridine-3-carbonitrile
CID 146676602
(NZ)-N-[[6-[4-[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazin-6-yl]-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-2-pyridinyl]methylidene]hydroxylamine
CID 146676614
2-[4-[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazin-6-yl]-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-5-fluoropyridin-3-amine
CID 146676615
3-[4-[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazin-6-yl]-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-5-[(2E)-2-methoxyiminoethyl]pyridin-4-amine
CID 146676616
3-[4-[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazin-6-yl]-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-5-cyclopropylpyridin-4-amine
CID 146676617
2-[4-[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazin-6-yl]-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-4-[(Z)-methoxyiminomethyl]pyridin-3-amine
CID 146676619
3-[4-[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazin-6-yl]-3-(3,5-difluorophenyl)quinolin-6-yl]-5-prop-1-ynylpyridin-4-amine
CID 146676620

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]-1-[(1-methylpiperidin-4-yl)amino]ethanol?
The IUPAC name of 1-[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]-1-[(1-methylpiperidin-4-yl)amino]ethanol (CID 156648965) is 1-[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]-1-[(1-methylpiperidin-4-yl)amino]ethanol.
What is the SMILES notation for 1-[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]-1-[(1-methylpiperidin-4-yl)amino]ethanol?
The canonical SMILES for 1-[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]-1-[(1-methylpiperidin-4-yl)amino]ethanol is Cc1ccc(N2C[C@@H](C)O[C@@H](C(C)(O)NC3CCN(C)CC3)C2)c2cccnc12.
What is the InChIKey of 1-[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]-1-[(1-methylpiperidin-4-yl)amino]ethanol?
The InChIKey is WDOAAQURVYDZGV-DHIFELSQSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-16-7-8-20(19-6-5-11-24-22(16)19)27-14-17(2)29-21(15-27)23(3,28)25-18-9-12-26(4)13-10-18/h5-8,11,17-18,21,25,28H,9-10,12-15H2,1-4H3/t17-,21-,23?/m1/s1.
What are the key properties of 1-[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]-1-[(1-methylpiperidin-4-yl)amino]ethanol?
1-[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]-1-[(1-methylpiperidin-4-yl)amino]ethanol has a molecular weight of 398.55 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]-1-[(1-methylpiperidin-4-yl)amino]ethanol is sourced from PubChem (CID 156648965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).