N-[2-[2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide

C26H25N7O3 — CID 175337983

IUPACN-[2-[2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccnc(-c2cccc3cnc(Nc4ccc(C5CNCCO5)nc4OC)nc23)c1
InChIInChI=1S/C26H25N7O3/c1-3-23(34)30-17-9-10-28-21(13-17)18-6-4-5-16-14-29-26(33-24(16)18)32-20-8-7-19(31-25(20)35-2)22-15-27-11-12-36-22/h3-10,13-14,22,27H,1,11-12,15H2,2H3,(H,28,30,34)(H,29,32,33)
InChIKeyYXRBPKXXNCTVDA-UHFFFAOYSA-N
MW483.53 g/mol
LogP3.62
Rot. Bonds7

About N-[2-[2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide

N-[2-[2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide (PubChem CID 175337983) has the molecular formula C26H25N7O3 and a molecular weight of 483.53 g/mol. Its IUPAC name is N-[2-[2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
PubChem CID175337983
Molecular FormulaC26H25N7O3
Molecular Weight483.53 g/mol
Exact Mass483.20
IUPAC NameN-[2-[2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccnc(-c2cccc3cnc(Nc4ccc(C5CNCCO5)nc4OC)nc23)c1
InChIInChI=1S/C26H25N7O3/c1-3-23(34)30-17-9-10-28-21(13-17)18-6-4-5-16-14-29-26(33-24(16)18)32-20-8-7-19(31-25(20)35-2)22-15-27-11-12-36-22/h3-10,13-14,22,27H,1,11-12,15H2,2H3,(H,28,30,34)(H,29,32,33)
InChIKeyYXRBPKXXNCTVDA-UHFFFAOYSA-N
XLogP3.62
TPSA123.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[2-[2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide with MolForge

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Related Compounds

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-[[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-[3-(aminomethyl)morpholin-2-yl]-2-methoxyanilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 175011403
(E)-3-fluoro-N-[2-[2-[(2-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]but-2-enamide
CID 175017218
N-[2-[2-[4-[2-(aminomethyl)morpholin-2-yl]-2-methoxyanilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 175010452
N-[2-[7-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 175012176
N-[2-[2-[4-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-2-methoxyanilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 118163037
tert-butyl 3-[[6-methoxy-5-[[8-[4-(prop-2-enoylamino)-2-pyridinyl]quinazolin-2-yl]amino]-2-pyridinyl]amino]azetidine-1-carboxylate;N-[2-[2-[[2-methoxy-6-[(1-methylazetidin-3-yl)amino]-3-pyridinyl]amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 126600101
N-[2-[2-[4-[2-(hydroxymethyl)morpholin-2-yl]anilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 175010659
N-[3-[7-chloro-2-(4-morpholin-2-ylanilino)quinazolin-8-yl]phenyl]prop-2-enamide
CID 175012181
(E)-N-[2-[2-(2-morpholin-4-ylanilino)quinazolin-8-yl]-4-pyridinyl]but-2-enamide
CID 175011032
4-(dimethylamino)-N-[2-[2-(4-piperazin-1-ylanilino)quinazolin-8-yl]-4-pyridinyl]but-2-enamide
CID 154060338

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide?
The IUPAC name of N-[2-[2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide (CID 175337983) is N-[2-[2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide is C=CC(=O)Nc1ccnc(-c2cccc3cnc(Nc4ccc(C5CNCCO5)nc4OC)nc23)c1.
What is the InChIKey of N-[2-[2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide?
The InChIKey is YXRBPKXXNCTVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O3/c1-3-23(34)30-17-9-10-28-21(13-17)18-6-4-5-16-14-29-26(33-24(16)18)32-20-8-7-19(31-25(20)35-2)22-15-27-11-12-36-22/h3-10,13-14,22,27H,1,11-12,15H2,2H3,(H,28,30,34)(H,29,32,33).
What are the key properties of N-[2-[2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide?
N-[2-[2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide has a molecular weight of 483.53 g/mol, XLogP of 3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide is sourced from PubChem (CID 175337983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).