N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide

C22H24N4O4 — CID 7479503

IUPACN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide
SMILESO=C(CCCn1c(=O)oc2ccccc21)NNC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C22H24N4O4/c27-20(12-6-14-26-18-10-3-4-11-19(18)30-22(26)29)23-24-21(28)15-25-13-5-8-16-7-1-2-9-17(16)25/h1-4,7,9-11H,5-6,8,12-15H2,(H,23,27)(H,24,28)
InChIKeyHXKHRWAJRKSCRR-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.97
Rot. Bonds6

About N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide

N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide (PubChem CID 7479503) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide
PubChem CID7479503
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide
SMILESO=C(CCCn1c(=O)oc2ccccc21)NNC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C22H24N4O4/c27-20(12-6-14-26-18-10-3-4-11-19(18)30-22(26)29)23-24-21(28)15-25-13-5-8-16-7-1-2-9-17(16)25/h1-4,7,9-11H,5-6,8,12-15H2,(H,23,27)(H,24,28)
InChIKeyHXKHRWAJRKSCRR-UHFFFAOYSA-N
XLogP1.97
TPSA96.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
CID 38707921
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 2477104
N-(2,3-dihydro-1H-inden-5-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822337
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanehydrazide
CID 25336509
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 18110295
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 24542983
3-(4-chlorophenyl)-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]propanehydrazide
CID 24554708
3-(4-oxohexyl)-1,3-benzoxazol-2-one
CID 106801664
N'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide
CID 18121118
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]cyclopentanecarbohydrazide
CID 75511657

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide?
The IUPAC name of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide (CID 7479503) is N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide.
What is the SMILES notation for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide?
The canonical SMILES for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide is O=C(CCCn1c(=O)oc2ccccc21)NNC(=O)CN1CCCc2ccccc21.
What is the InChIKey of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide?
The InChIKey is HXKHRWAJRKSCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c27-20(12-6-14-26-18-10-3-4-11-19(18)30-22(26)29)23-24-21(28)15-25-13-5-8-16-7-1-2-9-17(16)25/h1-4,7,9-11H,5-6,8,12-15H2,(H,23,27)(H,24,28).
What are the key properties of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide?
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide has a molecular weight of 408.46 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide is sourced from PubChem (CID 7479503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).