4-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide

C24H18N4O3 — CID 121273544

IUPAC4-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
SMILESC=CC(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1
InChIInChI=1S/C24H18N4O3/c1-2-23(29)27-17-8-11-20-19(15-17)21(12-14-25-20)31-18-9-6-16(7-10-18)24(30)28-22-5-3-4-13-26-22/h2-15H,1H2,(H,27,29)(H,26,28,30)
InChIKeyHCWYTVLYULMQKD-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.80
Rot. Bonds6

About 4-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide

4-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide (PubChem CID 121273544) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is 4-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
PubChem CID121273544
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC Name4-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
SMILESC=CC(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1
InChIInChI=1S/C24H18N4O3/c1-2-23(29)27-17-8-11-20-19(15-17)21(12-14-25-20)31-18-9-6-16(7-10-18)24(30)28-22-5-3-4-13-26-22/h2-15H,1H2,(H,27,29)(H,26,28,30)
InChIKeyHCWYTVLYULMQKD-UHFFFAOYSA-N
XLogP4.80
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide (CID 121273544) is 4-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide is C=CC(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1.
What is the InChIKey of 4-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide?
The InChIKey is HCWYTVLYULMQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3/c1-2-23(29)27-17-8-11-20-19(15-17)21(12-14-25-20)31-18-9-6-16(7-10-18)24(30)28-22-5-3-4-13-26-22/h2-15H,1H2,(H,27,29)(H,26,28,30).
What are the key properties of 4-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide?
4-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide has a molecular weight of 410.43 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 121273544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).