(E)-N-[2-[2-(2-morpholin-4-ylanilino)quinazolin-8-yl]-4-pyridinyl]but-2-enamide

C27H26N6O2 — CID 175011032

IUPAC(E)-N-[2-[2-(2-morpholin-4-ylanilino)quinazolin-8-yl]-4-pyridinyl]but-2-enamide
SMILESC/C=C/C(=O)Nc1ccnc(-c2cccc3cnc(Nc4ccccc4N4CCOCC4)nc23)c1
InChIInChI=1S/C27H26N6O2/c1-2-6-25(34)30-20-11-12-28-23(17-20)21-8-5-7-19-18-29-27(32-26(19)21)31-22-9-3-4-10-24(22)33-13-15-35-16-14-33/h2-12,17-18H,13-16H2,1H3,(H,28,30,34)(H,29,31,32)/b6-2+
InChIKeyFSNXNOAOEOIMQL-QHHAFSJGSA-N
MW466.55 g/mol
LogP4.79
Rot. Bonds6

About (E)-N-[2-[2-(2-morpholin-4-ylanilino)quinazolin-8-yl]-4-pyridinyl]but-2-enamide

(E)-N-[2-[2-(2-morpholin-4-ylanilino)quinazolin-8-yl]-4-pyridinyl]but-2-enamide (PubChem CID 175011032) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is (E)-N-[2-[2-(2-morpholin-4-ylanilino)quinazolin-8-yl]-4-pyridinyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[2-(2-morpholin-4-ylanilino)quinazolin-8-yl]-4-pyridinyl]but-2-enamide
PubChem CID175011032
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC Name(E)-N-[2-[2-(2-morpholin-4-ylanilino)quinazolin-8-yl]-4-pyridinyl]but-2-enamide
SMILESC/C=C/C(=O)Nc1ccnc(-c2cccc3cnc(Nc4ccccc4N4CCOCC4)nc23)c1
InChIInChI=1S/C27H26N6O2/c1-2-6-25(34)30-20-11-12-28-23(17-20)21-8-5-7-19-18-29-27(32-26(19)21)31-22-9-3-4-10-24(22)33-13-15-35-16-14-33/h2-12,17-18H,13-16H2,1H3,(H,28,30,34)(H,29,31,32)/b6-2+
InChIKeyFSNXNOAOEOIMQL-QHHAFSJGSA-N
XLogP4.79
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (E)-N-[2-[2-(2-morpholin-4-ylanilino)quinazolin-8-yl]-4-pyridinyl]but-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

4-(dimethylamino)-N-[2-[2-(4-piperazin-1-ylanilino)quinazolin-8-yl]-4-pyridinyl]but-2-enamide
CID 154060338
N-[3-[7-fluoro-2-(2-morpholin-4-ylanilino)quinazolin-8-yl]phenyl]prop-2-enamide
CID 175010983
3-fluoro-N-[2-[2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 154060343
N-[2-[2-[4-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-2-methoxyanilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 118163037
(E)-3-fluoro-N-[2-[2-[(2-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]but-2-enamide
CID 175017218
1-[3-[[4-(2-morpholin-4-ylanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112905634
N-[5-[[8-(3-fluorophenyl)quinazolin-2-yl]amino]-2-morpholin-4-ylphenyl]prop-2-enamide
CID 122475333
N-[2-[2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 175337983
N-[2-[7-fluoro-2-(4-morpholin-4-ylanilino)quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 118162939
N-(3-fluorophenyl)-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide
CID 109270349
N-[2-[2-[4-[3-(aminomethyl)morpholin-2-yl]-2-methoxyanilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 175011403
2-(2-morpholin-4-ylanilino)-N-phenylpyrimidine-5-carboxamide
CID 109265133

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[2-(2-morpholin-4-ylanilino)quinazolin-8-yl]-4-pyridinyl]but-2-enamide?
The IUPAC name of (E)-N-[2-[2-(2-morpholin-4-ylanilino)quinazolin-8-yl]-4-pyridinyl]but-2-enamide (CID 175011032) is (E)-N-[2-[2-(2-morpholin-4-ylanilino)quinazolin-8-yl]-4-pyridinyl]but-2-enamide.
What is the SMILES notation for (E)-N-[2-[2-(2-morpholin-4-ylanilino)quinazolin-8-yl]-4-pyridinyl]but-2-enamide?
The canonical SMILES for (E)-N-[2-[2-(2-morpholin-4-ylanilino)quinazolin-8-yl]-4-pyridinyl]but-2-enamide is C/C=C/C(=O)Nc1ccnc(-c2cccc3cnc(Nc4ccccc4N4CCOCC4)nc23)c1.
What is the InChIKey of (E)-N-[2-[2-(2-morpholin-4-ylanilino)quinazolin-8-yl]-4-pyridinyl]but-2-enamide?
The InChIKey is FSNXNOAOEOIMQL-QHHAFSJGSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-2-6-25(34)30-20-11-12-28-23(17-20)21-8-5-7-19-18-29-27(32-26(19)21)31-22-9-3-4-10-24(22)33-13-15-35-16-14-33/h2-12,17-18H,13-16H2,1H3,(H,28,30,34)(H,29,31,32)/b6-2+.
What are the key properties of (E)-N-[2-[2-(2-morpholin-4-ylanilino)quinazolin-8-yl]-4-pyridinyl]but-2-enamide?
(E)-N-[2-[2-(2-morpholin-4-ylanilino)quinazolin-8-yl]-4-pyridinyl]but-2-enamide has a molecular weight of 466.55 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[2-(2-morpholin-4-ylanilino)quinazolin-8-yl]-4-pyridinyl]but-2-enamide is sourced from PubChem (CID 175011032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).