N-[4-[2-[(4,6-dimethyl-2-pyridinyl)oxy]ethylamino]phenyl]-2-oxo-2-(7-phenyl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)acetamide

C30H30N4O4 — CID 67240337

IUPACN-[4-[2-[(4,6-dimethyl-2-pyridinyl)oxy]ethylamino]phenyl]-2-oxo-2-(7-phenyl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)acetamide
SMILESCc1cc(C)nc(OCCNc2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc4n3CCOC4)cc2)c1
InChIInChI=1S/C30H30N4O4/c1-20-16-21(2)32-27(17-20)38-14-12-31-23-8-10-24(11-9-23)33-30(36)29(35)28-26(22-6-4-3-5-7-22)18-25-19-37-15-13-34(25)28/h3-11,16-18,31H,12-15,19H2,1-2H3,(H,33,36)
InChIKeyNRNOIHITWJESHQ-UHFFFAOYSA-N
MW510.59 g/mol
LogP5.01
Rot. Bonds9

About N-[4-[2-[(4,6-dimethyl-2-pyridinyl)oxy]ethylamino]phenyl]-2-oxo-2-(7-phenyl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)acetamide

N-[4-[2-[(4,6-dimethyl-2-pyridinyl)oxy]ethylamino]phenyl]-2-oxo-2-(7-phenyl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)acetamide (PubChem CID 67240337) has the molecular formula C30H30N4O4 and a molecular weight of 510.59 g/mol. Its IUPAC name is N-[4-[2-[(4,6-dimethyl-2-pyridinyl)oxy]ethylamino]phenyl]-2-oxo-2-(7-phenyl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[(4,6-dimethyl-2-pyridinyl)oxy]ethylamino]phenyl]-2-oxo-2-(7-phenyl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)acetamide
PubChem CID67240337
Molecular FormulaC30H30N4O4
Molecular Weight510.59 g/mol
Exact Mass510.23
IUPAC NameN-[4-[2-[(4,6-dimethyl-2-pyridinyl)oxy]ethylamino]phenyl]-2-oxo-2-(7-phenyl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)acetamide
SMILESCc1cc(C)nc(OCCNc2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc4n3CCOC4)cc2)c1
InChIInChI=1S/C30H30N4O4/c1-20-16-21(2)32-27(17-20)38-14-12-31-23-8-10-24(11-9-23)33-30(36)29(35)28-26(22-6-4-3-5-7-22)18-25-19-37-15-13-34(25)28/h3-11,16-18,31H,12-15,19H2,1-2H3,(H,33,36)
InChIKeyNRNOIHITWJESHQ-UHFFFAOYSA-N
XLogP5.01
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[4-[2-[(4,6-dimethyl-2-pyridinyl)oxy]ethylamino]phenyl]-2-oxo-2-(7-phenyl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4,6-dimethyl-2-pyridinyl)oxy]ethylamino]phenyl]-2-oxo-2-(7-phenyl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)acetamide?
The IUPAC name of N-[4-[2-[(4,6-dimethyl-2-pyridinyl)oxy]ethylamino]phenyl]-2-oxo-2-(7-phenyl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)acetamide (CID 67240337) is N-[4-[2-[(4,6-dimethyl-2-pyridinyl)oxy]ethylamino]phenyl]-2-oxo-2-(7-phenyl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)acetamide.
What is the SMILES notation for N-[4-[2-[(4,6-dimethyl-2-pyridinyl)oxy]ethylamino]phenyl]-2-oxo-2-(7-phenyl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)acetamide?
The canonical SMILES for N-[4-[2-[(4,6-dimethyl-2-pyridinyl)oxy]ethylamino]phenyl]-2-oxo-2-(7-phenyl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)acetamide is Cc1cc(C)nc(OCCNc2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc4n3CCOC4)cc2)c1.
What is the InChIKey of N-[4-[2-[(4,6-dimethyl-2-pyridinyl)oxy]ethylamino]phenyl]-2-oxo-2-(7-phenyl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)acetamide?
The InChIKey is NRNOIHITWJESHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O4/c1-20-16-21(2)32-27(17-20)38-14-12-31-23-8-10-24(11-9-23)33-30(36)29(35)28-26(22-6-4-3-5-7-22)18-25-19-37-15-13-34(25)28/h3-11,16-18,31H,12-15,19H2,1-2H3,(H,33,36).
What are the key properties of N-[4-[2-[(4,6-dimethyl-2-pyridinyl)oxy]ethylamino]phenyl]-2-oxo-2-(7-phenyl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)acetamide?
N-[4-[2-[(4,6-dimethyl-2-pyridinyl)oxy]ethylamino]phenyl]-2-oxo-2-(7-phenyl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)acetamide has a molecular weight of 510.59 g/mol, XLogP of 5.01, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4,6-dimethyl-2-pyridinyl)oxy]ethylamino]phenyl]-2-oxo-2-(7-phenyl-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl)acetamide is sourced from PubChem (CID 67240337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).