N-[5-amino-2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-carboxamide

C25H17N3O3 — CID 143844182

IUPACN-[5-amino-2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-carboxamide
SMILESNc1ccc(-c2nc3ccccc3c(=O)o2)c(NC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C25H17N3O3/c26-18-11-12-19(24-28-21-8-4-3-7-20(21)25(30)31-24)22(14-18)27-23(29)17-10-9-15-5-1-2-6-16(15)13-17/h1-14H,26H2,(H,27,29)
InChIKeyAVWYSKHLTTZKSR-UHFFFAOYSA-N
MW407.43 g/mol
LogP4.84
Rot. Bonds3

About N-[5-amino-2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-carboxamide

N-[5-amino-2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-carboxamide (PubChem CID 143844182) has the molecular formula C25H17N3O3 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-[5-amino-2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[5-amino-2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-carboxamide
PubChem CID143844182
Molecular FormulaC25H17N3O3
Molecular Weight407.43 g/mol
Exact Mass407.13
IUPAC NameN-[5-amino-2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-carboxamide
SMILESNc1ccc(-c2nc3ccccc3c(=O)o2)c(NC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C25H17N3O3/c26-18-11-12-19(24-28-21-8-4-3-7-20(21)25(30)31-24)22(14-18)27-23(29)17-10-9-15-5-1-2-6-16(15)13-17/h1-14H,26H2,(H,27,29)
InChIKeyAVWYSKHLTTZKSR-UHFFFAOYSA-N
XLogP4.84
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9,10-dioxo-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]anthracene-2-carboxamide
CID 143844115
N-[2-(1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 23879270
molecular hydrogen;N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3-phenylbenzamide
CID 143844150
N-(5-amino-2-methylphenyl)naphthalene-2-carboxamide
CID 16773401
[3-[[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]carbamoyl]naphthalen-2-yl] acetate
CID 143844163
2-[6-(4-oxo-3,1-benzoxazin-2-yl)naphthalen-2-yl]-3,1-benzoxazin-4-one
CID 13267780
2,2,2-trifluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 825300
8-(naphthalene-2-carbonylamino)-4-oxochromene-2-carboxylic acid
CID 71734946
2-methoxy-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 143844116
N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]pyrazine-2-carboxamide
CID 143844190
3-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 17359640
N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 6496846

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[5-amino-2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-carboxamide (CID 143844182) is N-[5-amino-2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[5-amino-2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[5-amino-2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-carboxamide is Nc1ccc(-c2nc3ccccc3c(=O)o2)c(NC(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-[5-amino-2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-carboxamide?
The InChIKey is AVWYSKHLTTZKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O3/c26-18-11-12-19(24-28-21-8-4-3-7-20(21)25(30)31-24)22(14-18)27-23(29)17-10-9-15-5-1-2-6-16(15)13-17/h1-14H,26H2,(H,27,29).
What are the key properties of N-[5-amino-2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-carboxamide?
N-[5-amino-2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 143844182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).