[2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone

C28H34N4O2 — CID 60504469

IUPAC[2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCC1CCCN(Cc2ccccc2CNc2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1
InChIInChI=1S/C28H34N4O2/c1-21-7-6-12-31(19-21)20-23-9-3-2-8-22(23)18-29-27-17-25(24-10-4-5-11-26(24)30-27)28(33)32-13-15-34-16-14-32/h2-5,8-11,17,21H,6-7,12-16,18-20H2,1H3,(H,29,30)
InChIKeyLXMDYFVWLUYEPT-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.55
Rot. Bonds6

About [2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone

[2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone (PubChem CID 60504469) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is [2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
PubChem CID60504469
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name[2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCC1CCCN(Cc2ccccc2CNc2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1
InChIInChI=1S/C28H34N4O2/c1-21-7-6-12-31(19-21)20-23-9-3-2-8-22(23)18-29-27-17-25(24-10-4-5-11-26(24)30-27)28(33)32-13-15-34-16-14-32/h2-5,8-11,17,21H,6-7,12-16,18-20H2,1H3,(H,29,30)
InChIKeyLXMDYFVWLUYEPT-UHFFFAOYSA-N
XLogP4.55
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

morpholin-4-yl-[2-[[(2R)-oxolan-2-yl]methylamino]quinolin-4-yl]methanone
CID 94476970
[2-[(4-fluorophenyl)methylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 8006719
[2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone
CID 62968729
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55725408
[2-[2-(cyclohexen-1-yl)ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 75402193
[2-[(3R)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]quinolin-4-yl]-morpholin-4-ylmethanone
CID 92638888
[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]quinolin-4-yl]-morpholin-4-ylmethanone
CID 55680640
1-[(3R)-3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 92638688
1-[3-[4-(morpholine-4-carbonyl)quinolin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 110251602
[2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 62170916
1-[2-[4-(morpholine-4-carbonyl)quinolin-2-yl]morpholin-4-yl]ethanone
CID 110251795
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160

Frequently Asked Questions

What is the IUPAC name of [2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone (CID 60504469) is [2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone is CC1CCCN(Cc2ccccc2CNc2cc(C(=O)N3CCOCC3)c3ccccc3n2)C1.
What is the InChIKey of [2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is LXMDYFVWLUYEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-21-7-6-12-31(19-21)20-23-9-3-2-8-22(23)18-29-27-17-25(24-10-4-5-11-26(24)30-27)28(33)32-13-15-34-16-14-32/h2-5,8-11,17,21H,6-7,12-16,18-20H2,1H3,(H,29,30).
What are the key properties of [2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone?
[2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 458.61 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]quinolin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 60504469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).