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

C28H25N5O4 — CID 170095336

IUPACN-[[4-(nitrosocarbamoyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide
SMILESO=NNC(=O)c1ccc(CN(C(=O)N2CCOCC2)c2ccc(-c3ccc4cccnc4c3)cc2)cc1
InChIInChI=1S/C28H25N5O4/c34-27(30-31-36)23-5-3-20(4-6-23)19-33(28(35)32-14-16-37-17-15-32)25-11-9-21(10-12-25)24-8-7-22-2-1-13-29-26(22)18-24/h1-13,18H,14-17,19H2,(H,30,34,36)
InChIKeyBMCIKNSYKBQVLE-UHFFFAOYSA-N
MW495.54 g/mol
LogP4.77
Rot. Bonds6

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

N-[[4-(nitrosocarbamoyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide (PubChem CID 170095336) has the molecular formula C28H25N5O4 and a molecular weight of 495.54 g/mol. Its IUPAC name is N-[[4-(nitrosocarbamoyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(nitrosocarbamoyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide
PubChem CID170095336
Molecular FormulaC28H25N5O4
Molecular Weight495.54 g/mol
Exact Mass495.19
IUPAC NameN-[[4-(nitrosocarbamoyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide
SMILESO=NNC(=O)c1ccc(CN(C(=O)N2CCOCC2)c2ccc(-c3ccc4cccnc4c3)cc2)cc1
InChIInChI=1S/C28H25N5O4/c34-27(30-31-36)23-5-3-20(4-6-23)19-33(28(35)32-14-16-37-17-15-32)25-11-9-21(10-12-25)24-8-7-22-2-1-13-29-26(22)18-24/h1-13,18H,14-17,19H2,(H,30,34,36)
InChIKeyBMCIKNSYKBQVLE-UHFFFAOYSA-N
XLogP4.77
TPSA104.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide
CID 148907845
N-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]morpholine-4-carboxamide
CID 86280925
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 140894353
N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-(4-pyridin-3-ylphenyl)thiomorpholine-4-carboxamide
CID 163641418
4-quinolin-7-ylbenzoic acid
CID 81224662
N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-[4-(3,4,5-trimethoxyphenyl)phenyl]morpholine-4-carboxamide
CID 149142775
N-[4-(1,3-benzodioxol-5-yl)phenyl]-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 140894264
N-[[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 144741604
methyl 4-[[4-methylsulfanyl-N-(morpholine-4-carbonyl)anilino]methyl]benzoate
CID 140894821
N-[[5-(hydrazinecarbonyl)-2-pyridinyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 134584348
N-[3-(morpholine-4-carbonyl)phenyl]quinoline-7-carboxamide
CID 155312844
N-[4-(1,3-benzodioxol-5-yl)phenyl]-N-[[4-(hydrazinecarbonyl)phenyl]methyl]piperidine-1-carboxamide;methyl 4-[[4-(1,3-benzodioxol-5-yl)-N-(piperidine-1-carbonyl)anilino]methyl]benzoate
CID 158141376

Frequently Asked Questions

What is the IUPAC name of N-[[4-(nitrosocarbamoyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide?
The IUPAC name of N-[[4-(nitrosocarbamoyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide (CID 170095336) is N-[[4-(nitrosocarbamoyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[[4-(nitrosocarbamoyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide?
The canonical SMILES for N-[[4-(nitrosocarbamoyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide is O=NNC(=O)c1ccc(CN(C(=O)N2CCOCC2)c2ccc(-c3ccc4cccnc4c3)cc2)cc1.
What is the InChIKey of N-[[4-(nitrosocarbamoyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide?
The InChIKey is BMCIKNSYKBQVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O4/c34-27(30-31-36)23-5-3-20(4-6-23)19-33(28(35)32-14-16-37-17-15-32)25-11-9-21(10-12-25)24-8-7-22-2-1-13-29-26(22)18-24/h1-13,18H,14-17,19H2,(H,30,34,36).
What are the key properties of N-[[4-(nitrosocarbamoyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide?
N-[[4-(nitrosocarbamoyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide has a molecular weight of 495.54 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(nitrosocarbamoyl)phenyl]methyl]-N-(4-quinolin-7-ylphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 170095336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).