N-(2-hydroxyethyl)-2-[(2S)-4-[(2-methoxy-3-methylphenyl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide

C26H31N3O4 — CID 92639051

IUPACN-(2-hydroxyethyl)-2-[(2S)-4-[(2-methoxy-3-methylphenyl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide
SMILESCOc1c(C)cccc1CN1CCO[C@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1
InChIInChI=1S/C26H31N3O4/c1-18-7-6-8-19(25(18)32-3)16-29-12-14-33-24(17-29)23-15-21(26(31)28(2)11-13-30)20-9-4-5-10-22(20)27-23/h4-10,15,24,30H,11-14,16-17H2,1-3H3/t24-/m0/s1
InChIKeyNJPOAEOOAASDNX-DEOSSOPVSA-N
MW449.55 g/mol
LogP3.19
Rot. Bonds7

About N-(2-hydroxyethyl)-2-[(2S)-4-[(2-methoxy-3-methylphenyl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide

N-(2-hydroxyethyl)-2-[(2S)-4-[(2-methoxy-3-methylphenyl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide (PubChem CID 92639051) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[(2S)-4-[(2-methoxy-3-methylphenyl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[(2S)-4-[(2-methoxy-3-methylphenyl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide
PubChem CID92639051
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC NameN-(2-hydroxyethyl)-2-[(2S)-4-[(2-methoxy-3-methylphenyl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide
SMILESCOc1c(C)cccc1CN1CCO[C@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1
InChIInChI=1S/C26H31N3O4/c1-18-7-6-8-19(25(18)32-3)16-29-12-14-33-24(17-29)23-15-21(26(31)28(2)11-13-30)20-9-4-5-10-22(20)27-23/h4-10,15,24,30H,11-14,16-17H2,1-3H3/t24-/m0/s1
InChIKeyNJPOAEOOAASDNX-DEOSSOPVSA-N
XLogP3.19
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-hydroxyethyl)-2-[(2S)-4-[(2-methoxy-3-methylphenyl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide with MolForge

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-2-[(2S)-4-(2-piperidin-1-ylacetyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638296
N,N-dimethyl-2-[4-[(2-propan-2-yloxyphenyl)methyl]morpholin-2-yl]quinoline-4-carboxamide
CID 110251738
N,N-dimethyl-2-[(2R)-4-(quinolin-8-ylmethyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638317
N-(2-hydroxyethyl)-N-methyl-2-[(2R)-morpholin-2-yl]quinoline-4-carboxamide
CID 124994060
N-(2-hydroxyethyl)-N-methyl-2-[(2R)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638455
2-[(3R)-1-[2-(azetidin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)-N-methylquinoline-4-carboxamide
CID 92638738
[2-[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]quinolin-4-yl]-morpholin-4-ylmethanone
CID 92638405
N,N-dimethyl-2-[(2R)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92638391
2-[(2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92638417
2-[4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide
CID 110251829
N-methyl-2-[(2S)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92639052
N-methyl-2-[(2R)-4-[(3-methyl-1-benzofuran-2-yl)methyl]morpholin-2-yl]quinoline-4-carboxamide
CID 92638945

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[(2S)-4-[(2-methoxy-3-methylphenyl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[(2S)-4-[(2-methoxy-3-methylphenyl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide (CID 92639051) is N-(2-hydroxyethyl)-2-[(2S)-4-[(2-methoxy-3-methylphenyl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[(2S)-4-[(2-methoxy-3-methylphenyl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[(2S)-4-[(2-methoxy-3-methylphenyl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide is COc1c(C)cccc1CN1CCO[C@H](c2cc(C(=O)N(C)CCO)c3ccccc3n2)C1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[(2S)-4-[(2-methoxy-3-methylphenyl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide?
The InChIKey is NJPOAEOOAASDNX-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-18-7-6-8-19(25(18)32-3)16-29-12-14-33-24(17-29)23-15-21(26(31)28(2)11-13-30)20-9-4-5-10-22(20)27-23/h4-10,15,24,30H,11-14,16-17H2,1-3H3/t24-/m0/s1.
What are the key properties of N-(2-hydroxyethyl)-2-[(2S)-4-[(2-methoxy-3-methylphenyl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide?
N-(2-hydroxyethyl)-2-[(2S)-4-[(2-methoxy-3-methylphenyl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[(2S)-4-[(2-methoxy-3-methylphenyl)methyl]morpholin-2-yl]-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 92639051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).