(E)-3-fluoro-N-[2-[2-[(2-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]but-2-enamide

C26H24FN7O2 — CID 175017218

IUPAC(E)-3-fluoro-N-[2-[2-[(2-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]but-2-enamide
SMILESC/C(F)=C\C(=O)Nc1ccnc(-c2cccc3cnc(Nc4cccnc4C4CNCCO4)nc23)c1
InChIInChI=1S/C26H24FN7O2/c1-16(27)12-23(35)32-18-7-9-29-21(13-18)19-5-2-4-17-14-31-26(34-24(17)19)33-20-6-3-8-30-25(20)22-15-28-10-11-36-22/h2-9,12-14,22,28H,10-11,15H2,1H3,(H,29,32,35)(H,31,33,34)/b16-12+
InChIKeyHPBWPENGCBZJIN-FOWTUZBSSA-N
MW485.52 g/mol
LogP4.30
Rot. Bonds6

About (E)-3-fluoro-N-[2-[2-[(2-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]but-2-enamide

(E)-3-fluoro-N-[2-[2-[(2-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]but-2-enamide (PubChem CID 175017218) has the molecular formula C26H24FN7O2 and a molecular weight of 485.52 g/mol. Its IUPAC name is (E)-3-fluoro-N-[2-[2-[(2-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]but-2-enamide.

Molecular Properties

Compound Name(E)-3-fluoro-N-[2-[2-[(2-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]but-2-enamide
PubChem CID175017218
Molecular FormulaC26H24FN7O2
Molecular Weight485.52 g/mol
Exact Mass485.20
IUPAC Name(E)-3-fluoro-N-[2-[2-[(2-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]but-2-enamide
SMILESC/C(F)=C\C(=O)Nc1ccnc(-c2cccc3cnc(Nc4cccnc4C4CNCCO4)nc23)c1
InChIInChI=1S/C26H24FN7O2/c1-16(27)12-23(35)32-18-7-9-29-21(13-18)19-5-2-4-17-14-31-26(34-24(17)19)33-20-6-3-8-30-25(20)22-15-28-10-11-36-22/h2-9,12-14,22,28H,10-11,15H2,1H3,(H,29,32,35)(H,31,33,34)/b16-12+
InChIKeyHPBWPENGCBZJIN-FOWTUZBSSA-N
XLogP4.30
TPSA113.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (E)-3-fluoro-N-[2-[2-[(2-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]but-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 175337983
8-[3-[2-(dimethylamino)ethoxy]phenyl]-N-(2-morpholin-2-yl-3-pyridinyl)quinazolin-2-amine
CID 175011008
N-[2-[2-[4-[2-(aminomethyl)morpholin-2-yl]-2-methoxyanilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 175010452
N-[2-[2-[4-[3-(aminomethyl)morpholin-2-yl]-2-methoxyanilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 175011403
(E)-N-[2-[2-(2-morpholin-4-ylanilino)quinazolin-8-yl]-4-pyridinyl]but-2-enamide
CID 175011032
N-[2-[7-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 175012176
N-[2-[7-chloro-2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 175030936
N-[2-[2-[4-[2-(hydroxymethyl)morpholin-2-yl]anilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 175010659
N-[2-[2-[[6-[(2S)-2-(aminomethyl)morpholin-2-yl]-2-methoxy-3-pyridinyl]amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 175010800
N-[2-[2-[4-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-2-methoxyanilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 118163037
8-[4-(1-morpholin-2-ylethoxy)-2-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)quinazolin-2-amine
CID 175337831
8-(2,6-difluorophenyl)-N-(4-morpholin-2-ylphenyl)quinazolin-2-amine
CID 175011011

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-N-[2-[2-[(2-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]but-2-enamide?
The IUPAC name of (E)-3-fluoro-N-[2-[2-[(2-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]but-2-enamide (CID 175017218) is (E)-3-fluoro-N-[2-[2-[(2-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]but-2-enamide.
What is the SMILES notation for (E)-3-fluoro-N-[2-[2-[(2-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]but-2-enamide?
The canonical SMILES for (E)-3-fluoro-N-[2-[2-[(2-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]but-2-enamide is C/C(F)=C\C(=O)Nc1ccnc(-c2cccc3cnc(Nc4cccnc4C4CNCCO4)nc23)c1.
What is the InChIKey of (E)-3-fluoro-N-[2-[2-[(2-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]but-2-enamide?
The InChIKey is HPBWPENGCBZJIN-FOWTUZBSSA-N. The full InChI is InChI=1S/C26H24FN7O2/c1-16(27)12-23(35)32-18-7-9-29-21(13-18)19-5-2-4-17-14-31-26(34-24(17)19)33-20-6-3-8-30-25(20)22-15-28-10-11-36-22/h2-9,12-14,22,28H,10-11,15H2,1H3,(H,29,32,35)(H,31,33,34)/b16-12+.
What are the key properties of (E)-3-fluoro-N-[2-[2-[(2-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]but-2-enamide?
(E)-3-fluoro-N-[2-[2-[(2-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]but-2-enamide has a molecular weight of 485.52 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-N-[2-[2-[(2-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]but-2-enamide is sourced from PubChem (CID 175017218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).