N-(2-aminophenyl)-6-[3-(1,3-benzoxazol-2-yl)-4-oxoquinolin-1-yl]hexanamide

C28H26N4O3 — CID 46833915

IUPACN-(2-aminophenyl)-6-[3-(1,3-benzoxazol-2-yl)-4-oxoquinolin-1-yl]hexanamide
SMILESNc1ccccc1NC(=O)CCCCCn1cc(-c2nc3ccccc3o2)c(=O)c2ccccc21
InChIInChI=1S/C28H26N4O3/c29-21-11-4-5-12-22(21)30-26(33)16-2-1-9-17-32-18-20(27(34)19-10-3-7-14-24(19)32)28-31-23-13-6-8-15-25(23)35-28/h3-8,10-15,18H,1-2,9,16-17,29H2,(H,30,33)
InChIKeyJMQSPYLWMFJOEP-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.59
Rot. Bonds8

About N-(2-aminophenyl)-6-[3-(1,3-benzoxazol-2-yl)-4-oxoquinolin-1-yl]hexanamide

N-(2-aminophenyl)-6-[3-(1,3-benzoxazol-2-yl)-4-oxoquinolin-1-yl]hexanamide (PubChem CID 46833915) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-(2-aminophenyl)-6-[3-(1,3-benzoxazol-2-yl)-4-oxoquinolin-1-yl]hexanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-6-[3-(1,3-benzoxazol-2-yl)-4-oxoquinolin-1-yl]hexanamide
PubChem CID46833915
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC NameN-(2-aminophenyl)-6-[3-(1,3-benzoxazol-2-yl)-4-oxoquinolin-1-yl]hexanamide
SMILESNc1ccccc1NC(=O)CCCCCn1cc(-c2nc3ccccc3o2)c(=O)c2ccccc21
InChIInChI=1S/C28H26N4O3/c29-21-11-4-5-12-22(21)30-26(33)16-2-1-9-17-32-18-20(27(34)19-10-3-7-14-24(19)32)28-31-23-13-6-8-15-25(23)35-28/h3-8,10-15,18H,1-2,9,16-17,29H2,(H,30,33)
InChIKeyJMQSPYLWMFJOEP-UHFFFAOYSA-N
XLogP5.59
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(2-aminoanilino)-6-oxohexyl]-N-(2,4-dimethylphenyl)-4-oxoquinoline-3-carboxamide
CID 46832713
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081
N-(2-aminophenyl)-5-(3-methyl-2-oxo-1-pyridinyl)pentanamide
CID 82031878
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-aminophenyl)-8-(1-methylindol-2-yl)-8-oxooctanamide
CID 159145290
N-(2-aminophenyl)-7-oxoheptanamide
CID 143955349
1-[6-(2-aminoanilino)-6-oxohexyl]-N-(2,4-dimethylphenyl)-6-methoxy-4-oxoquinoline-3-carboxamide
CID 46833317
N-(2-aminophenyl)-7-oxo-7-phenylheptanamide
CID 155558642
N-(2-aminophenyl)-4-(2,4-dioxopyrimidin-1-yl)butanamide
CID 28945204
N-(2-aminophenyl)-5-(4-quinoxalin-2-ylpyrazol-1-yl)pentanamide
CID 175695211
1-[6-(hydroxyamino)-6-oxohexyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide
CID 46830417
N-(2-aminophenyl)-6-[(2-xanthen-9-ylideneacetyl)amino]hexanamide
CID 53354005

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-6-[3-(1,3-benzoxazol-2-yl)-4-oxoquinolin-1-yl]hexanamide?
The IUPAC name of N-(2-aminophenyl)-6-[3-(1,3-benzoxazol-2-yl)-4-oxoquinolin-1-yl]hexanamide (CID 46833915) is N-(2-aminophenyl)-6-[3-(1,3-benzoxazol-2-yl)-4-oxoquinolin-1-yl]hexanamide.
What is the SMILES notation for N-(2-aminophenyl)-6-[3-(1,3-benzoxazol-2-yl)-4-oxoquinolin-1-yl]hexanamide?
The canonical SMILES for N-(2-aminophenyl)-6-[3-(1,3-benzoxazol-2-yl)-4-oxoquinolin-1-yl]hexanamide is Nc1ccccc1NC(=O)CCCCCn1cc(-c2nc3ccccc3o2)c(=O)c2ccccc21.
What is the InChIKey of N-(2-aminophenyl)-6-[3-(1,3-benzoxazol-2-yl)-4-oxoquinolin-1-yl]hexanamide?
The InChIKey is JMQSPYLWMFJOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c29-21-11-4-5-12-22(21)30-26(33)16-2-1-9-17-32-18-20(27(34)19-10-3-7-14-24(19)32)28-31-23-13-6-8-15-25(23)35-28/h3-8,10-15,18H,1-2,9,16-17,29H2,(H,30,33).
What are the key properties of N-(2-aminophenyl)-6-[3-(1,3-benzoxazol-2-yl)-4-oxoquinolin-1-yl]hexanamide?
N-(2-aminophenyl)-6-[3-(1,3-benzoxazol-2-yl)-4-oxoquinolin-1-yl]hexanamide has a molecular weight of 466.54 g/mol, XLogP of 5.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-6-[3-(1,3-benzoxazol-2-yl)-4-oxoquinolin-1-yl]hexanamide is sourced from PubChem (CID 46833915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).