4-[6-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide

C29H27N5O4 — CID 121273448

IUPAC4-[6-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
SMILESO=C(/C=C/CN1CCOCC1)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1
InChIInChI=1S/C29H27N5O4/c35-28(5-3-15-34-16-18-37-19-17-34)32-22-8-11-25-24(20-22)26(12-14-30-25)38-23-9-6-21(7-10-23)29(36)33-27-4-1-2-13-31-27/h1-14,20H,15-19H2,(H,32,35)(H,31,33,36)/b5-3+
InChIKeyZBZSBAHCXIBXAX-HWKANZROSA-N
MW509.57 g/mol
LogP4.50
Rot. Bonds8

About 4-[6-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide

4-[6-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide (PubChem CID 121273448) has the molecular formula C29H27N5O4 and a molecular weight of 509.57 g/mol. Its IUPAC name is 4-[6-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-[6-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
PubChem CID121273448
Molecular FormulaC29H27N5O4
Molecular Weight509.57 g/mol
Exact Mass509.21
IUPAC Name4-[6-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
SMILESO=C(/C=C/CN1CCOCC1)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1
InChIInChI=1S/C29H27N5O4/c35-28(5-3-15-34-16-18-37-19-17-34)32-22-8-11-25-24(20-22)26(12-14-30-25)38-23-9-6-21(7-10-23)29(36)33-27-4-1-2-13-31-27/h1-14,20H,15-19H2,(H,32,35)(H,31,33,36)/b5-3+
InChIKeyZBZSBAHCXIBXAX-HWKANZROSA-N
XLogP4.50
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.57
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[6-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide with MolForge

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Related Compounds

4-[6-[[(E)-4-[2-methoxyethyl(methyl)amino]but-2-enoyl]amino]quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 121273721
4-[6-[3-morpholin-4-ylpropyl(prop-2-enoyl)amino]quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 121273727
4-[6-[[(E)-4-(dimethylamino)but-2-enoyl]amino]quinolin-4-yl]oxy-N-(4-methoxy-2-pyridinyl)benzamide
CID 145059750
4-[[6-(prop-2-enoylamino)quinolin-4-yl]amino]-N-pyridin-2-ylbenzamide
CID 121273423
N-[4-[6-methoxy-7-[(E)-3-morpholin-4-ylprop-1-enoxy]quinolin-4-yl]oxyphenyl]-1-methylcyclopropane-1-carboxamide
CID 130443911
4-[7-[(2S)-2,3-dihydroxypropoxy]-6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 121280748
4-[6-(but-2-ynoylamino)-7-(1-methylpyrrolidin-3-yl)oxyquinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 145059730
N-pyridin-2-yl-4-pyrimidin-2-yloxybenzamide
CID 56724080
4-(6-aminoquinolin-4-yl)oxy-N-(4-ethyl-2-pyridinyl)benzamide
CID 121273481
1-[4-[6-cyano-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-3-(4-methoxyphenyl)urea
CID 22936388
4-[6-(4-methoxybut-2-ynoylamino)quinolin-4-yl]oxy-N-(4-methylpyrimidin-2-yl)benzamide
CID 121273677
4-[6-(but-2-ynoylamino)quinolin-4-yl]oxy-N-(4-methylpyrimidin-2-yl)benzamide
CID 121273577

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-[6-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide (CID 121273448) is 4-[6-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-[6-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-[6-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide is O=C(/C=C/CN1CCOCC1)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1.
What is the InChIKey of 4-[6-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide?
The InChIKey is ZBZSBAHCXIBXAX-HWKANZROSA-N. The full InChI is InChI=1S/C29H27N5O4/c35-28(5-3-15-34-16-18-37-19-17-34)32-22-8-11-25-24(20-22)26(12-14-30-25)38-23-9-6-21(7-10-23)29(36)33-27-4-1-2-13-31-27/h1-14,20H,15-19H2,(H,32,35)(H,31,33,36)/b5-3+.
What are the key properties of 4-[6-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide?
4-[6-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide has a molecular weight of 509.57 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[(E)-4-morpholin-4-ylbut-2-enoyl]amino]quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 121273448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).