N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine

C26H24N6O — CID 59325506

IUPACN-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine
SMILESC#Cc1ccc2nc(Nc3cc(CN4CCOCC4)cc(-c4ccnc(N)c4)c3)ncc2c1
InChIInChI=1S/C26H24N6O/c1-2-18-3-4-24-22(11-18)16-29-26(31-24)30-23-13-19(17-32-7-9-33-10-8-32)12-21(14-23)20-5-6-28-25(27)15-20/h1,3-6,11-16H,7-10,17H2,(H2,27,28)(H,29,30,31)
InChIKeyJDIIMPMVFWBZLP-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.83
Rot. Bonds5

About N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine

N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine (PubChem CID 59325506) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine.

Molecular Properties

Compound NameN-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine
PubChem CID59325506
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC NameN-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine
SMILESC#Cc1ccc2nc(Nc3cc(CN4CCOCC4)cc(-c4ccnc(N)c4)c3)ncc2c1
InChIInChI=1S/C26H24N6O/c1-2-18-3-4-24-22(11-18)16-29-26(31-24)30-23-13-19(17-32-7-9-33-10-8-32)12-21(14-23)20-5-6-28-25(27)15-20/h1,3-6,11-16H,7-10,17H2,(H2,27,28)(H,29,30,31)
InChIKeyJDIIMPMVFWBZLP-UHFFFAOYSA-N
XLogP3.83
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine 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

6-ethynyl-N-[3-[(2-methylmorpholin-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine
CID 59325665
6-chloro-N-[3-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)phenyl]quinazolin-2-amine
CID 59325650
4-[[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]methyl]-1-methylpiperazin-2-one
CID 59325561
2-[3-[(6-ethynylquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]acetonitrile
CID 59325656
2-[3-[(3-oxomorpholin-4-yl)methyl]anilino]quinazoline-6-carbonitrile
CID 44554784
N-[3-[(dimethylamino)methyl]-5-[(6-ethynylquinazolin-2-yl)amino]phenyl]formamide
CID 89070299
4-[2-methyl-3-[4-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridin-2-amine
CID 146316096
6-ethynyl-N-[3-(2-iminopropoxy)-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine
CID 143712472
N-[3-(azidomethyl)-5-[(dimethylamino)methyl]phenyl]-6-ethynylquinazolin-2-amine
CID 143712517
4-[2-methyl-3-[3-(morpholin-4-ylmethyl)phenyl]imidazo[4,5-b]pyridin-5-yl]pyridin-2-amine
CID 146316045
6-ethynyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine
CID 25018564
2-(3-ethynylanilino)quinazolin-6-ol
CID 87551499

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine?
The IUPAC name of N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine (CID 59325506) is N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine.
What is the SMILES notation for N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine?
The canonical SMILES for N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine is C#Cc1ccc2nc(Nc3cc(CN4CCOCC4)cc(-c4ccnc(N)c4)c3)ncc2c1.
What is the InChIKey of N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine?
The InChIKey is JDIIMPMVFWBZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c1-2-18-3-4-24-22(11-18)16-29-26(31-24)30-23-13-19(17-32-7-9-33-10-8-32)12-21(14-23)20-5-6-28-25(27)15-20/h1,3-6,11-16H,7-10,17H2,(H2,27,28)(H,29,30,31).
What are the key properties of N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine?
N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine has a molecular weight of 436.52 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-4-pyridinyl)-5-(morpholin-4-ylmethyl)phenyl]-6-ethynylquinazolin-2-amine is sourced from PubChem (CID 59325506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).