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

C26H25N7O2 — CID 118162922

IUPACN-[3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]quinazolin-8-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2cccc3c(N)nc(Nc4ccc(N5CCOCC5)nc4)nc23)c1
InChIInChI=1S/C26H25N7O2/c1-2-23(34)29-18-6-3-5-17(15-18)20-7-4-8-21-24(20)31-26(32-25(21)27)30-19-9-10-22(28-16-19)33-11-13-35-14-12-33/h2-10,15-16H,1,11-14H2,(H,29,34)(H3,27,30,31,32)
InChIKeyWHMDDEXKLVCGKJ-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.98
Rot. Bonds6

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

N-[3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]quinazolin-8-yl]phenyl]prop-2-enamide (PubChem CID 118162922) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]quinazolin-8-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]quinazolin-8-yl]phenyl]prop-2-enamide
PubChem CID118162922
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC NameN-[3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]quinazolin-8-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2cccc3c(N)nc(Nc4ccc(N5CCOCC5)nc4)nc23)c1
InChIInChI=1S/C26H25N7O2/c1-2-23(34)29-18-6-3-5-17(15-18)20-7-4-8-21-24(20)31-26(32-25(21)27)30-19-9-10-22(28-16-19)33-11-13-35-14-12-33/h2-10,15-16H,1,11-14H2,(H,29,34)(H3,27,30,31,32)
InChIKeyWHMDDEXKLVCGKJ-UHFFFAOYSA-N
XLogP3.98
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrido[3,4-d]pyrimidin-8-yl]phenyl]-4-(dimethylamino)but-2-enamide
CID 118162848
(E)-N-[3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrido[3,4-d]pyrimidin-8-yl]phenyl]-2-(dimethylamino)but-2-enamide
CID 140869866
N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 43699902
N-[3-[2-(4-morpholin-4-ylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]prop-2-enamide
CID 122616667
N-[3-[5-chloro-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1-methylindol-6-yl]prop-2-enamide
CID 164911621
N-[3-[2-(4-aminoanilino)quinazolin-8-yl]phenyl]prop-2-enamide
CID 138463042
8-(2,6-difluorophenyl)-2-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidine-2,4-diamine
CID 118162915
N-[3-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]prop-2-enamide
CID 162658060
8-(3-aminophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-2-amine;methane;N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]phenyl]prop-2-enamide;prop-2-enoyl chloride
CID 162105137
N-[3-[5-chloro-2-(4-hydroxy-3-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]prop-2-enamide
CID 118361445
N-[3-[4-amino-2-(4-morpholin-4-ylanilino)pyrido[3,4-d]pyrimidin-8-yl]phenyl]prop-2-enamide;tert-butyl N-(2-chloro-3-pyridinyl)carbamate;2-chloropyridin-3-amine
CID 159466050
N-[3-[5-anilino-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]prop-2-enamide
CID 118361754

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]quinazolin-8-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]quinazolin-8-yl]phenyl]prop-2-enamide (CID 118162922) is N-[3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]quinazolin-8-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]quinazolin-8-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]quinazolin-8-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-c2cccc3c(N)nc(Nc4ccc(N5CCOCC5)nc4)nc23)c1.
What is the InChIKey of N-[3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]quinazolin-8-yl]phenyl]prop-2-enamide?
The InChIKey is WHMDDEXKLVCGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-2-23(34)29-18-6-3-5-17(15-18)20-7-4-8-21-24(20)31-26(32-25(21)27)30-19-9-10-22(28-16-19)33-11-13-35-14-12-33/h2-10,15-16H,1,11-14H2,(H,29,34)(H3,27,30,31,32).
What are the key properties of N-[3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]quinazolin-8-yl]phenyl]prop-2-enamide?
N-[3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]quinazolin-8-yl]phenyl]prop-2-enamide has a molecular weight of 467.53 g/mol, XLogP of 3.98, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-amino-2-[(6-morpholin-4-yl-3-pyridinyl)amino]quinazolin-8-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 118162922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).