N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide

C29H27N3O4 — CID 148907845

IUPACN-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide
SMILESO=C(CO)c1ccc(CN(C(=O)N2CCOCC2)c2ccc(-c3ccc4cccnc4c3)cc2)cc1
InChIInChI=1S/C29H27N3O4/c33-20-28(34)24-5-3-21(4-6-24)19-32(29(35)31-14-16-36-17-15-31)26-11-9-22(10-12-26)25-8-7-23-2-1-13-30-27(23)18-25/h1-13,18,33H,14-17,19-20H2
InChIKeyPIARRKPHQUXZIJ-UHFFFAOYSA-N
MW481.55 g/mol
LogP4.54
Rot. Bonds6

About N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide

N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide (PubChem CID 148907845) has the molecular formula C29H27N3O4 and a molecular weight of 481.55 g/mol. Its IUPAC name is N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide
PubChem CID148907845
Molecular FormulaC29H27N3O4
Molecular Weight481.55 g/mol
Exact Mass481.20
IUPAC NameN-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide
SMILESO=C(CO)c1ccc(CN(C(=O)N2CCOCC2)c2ccc(-c3ccc4cccnc4c3)cc2)cc1
InChIInChI=1S/C29H27N3O4/c33-20-28(34)24-5-3-21(4-6-24)19-32(29(35)31-14-16-36-17-15-31)26-11-9-22(10-12-26)25-8-7-23-2-1-13-30-27(23)18-25/h1-13,18,33H,14-17,19-20H2
InChIKeyPIARRKPHQUXZIJ-UHFFFAOYSA-N
XLogP4.54
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(nitrosocarbamoyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide
CID 170095336
N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[4-(3,4,5-trimethoxyphenyl)phenyl]morpholine-4-carboxamide
CID 149142775
N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[3-(oxan-4-yl)phenyl]morpholine-4-carboxamide
CID 158831966
N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[3-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]morpholine-4-carboxamide
CID 147811359
N-(5-chloro-2-pyridinyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]morpholine-4-carboxamide
CID 146940002
N-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]morpholine-4-carboxamide
CID 86280925
4-quinolin-7-ylbenzoic acid
CID 81224662
N-pyridin-3-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]morpholine-4-carboxamide
CID 158772736
2-hydroxy-N-[(4-methoxyphenyl)methyl]-N-quinolin-7-ylacetamide
CID 67173684
tert-butyl 4-[3-[[4-(2-hydroxyacetyl)phenyl]methyl-(morpholine-4-carbonyl)amino]phenyl]piperidine-1-carboxylate
CID 160874705
4-(4-fluorophenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 167638373
N-[[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 144741604

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide?
The IUPAC name of N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide (CID 148907845) is N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide?
The canonical SMILES for N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide is O=C(CO)c1ccc(CN(C(=O)N2CCOCC2)c2ccc(-c3ccc4cccnc4c3)cc2)cc1.
What is the InChIKey of N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide?
The InChIKey is PIARRKPHQUXZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O4/c33-20-28(34)24-5-3-21(4-6-24)19-32(29(35)31-14-16-36-17-15-31)26-11-9-22(10-12-26)25-8-7-23-2-1-13-30-27(23)18-25/h1-13,18,33H,14-17,19-20H2.
What are the key properties of N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide?
N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide has a molecular weight of 481.55 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 148907845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).