N-methyl-N-[4-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]anilino]quinazolin-6-yl]but-2-ynamide

C26H23N5O2 — CID 162431399

IUPACN-methyl-N-[4-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]anilino]quinazolin-6-yl]but-2-ynamide
SMILESCC#CC(=O)N(C)c1ccc2ncnc(Nc3ccc(Cc4ccn(C)c(=O)c4)cc3)c2c1
InChIInChI=1S/C26H23N5O2/c1-4-5-24(32)31(3)21-10-11-23-22(16-21)26(28-17-27-23)29-20-8-6-18(7-9-20)14-19-12-13-30(2)25(33)15-19/h6-13,15-17H,14H2,1-3H3,(H,27,28,29)
InChIKeyFSEPSEACDBAHDV-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.65
Rot. Bonds5

About N-methyl-N-[4-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]anilino]quinazolin-6-yl]but-2-ynamide

N-methyl-N-[4-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]anilino]quinazolin-6-yl]but-2-ynamide (PubChem CID 162431399) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-methyl-N-[4-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]anilino]quinazolin-6-yl]but-2-ynamide.

Molecular Properties

Compound NameN-methyl-N-[4-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]anilino]quinazolin-6-yl]but-2-ynamide
PubChem CID162431399
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC NameN-methyl-N-[4-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]anilino]quinazolin-6-yl]but-2-ynamide
SMILESCC#CC(=O)N(C)c1ccc2ncnc(Nc3ccc(Cc4ccn(C)c(=O)c4)cc3)c2c1
InChIInChI=1S/C26H23N5O2/c1-4-5-24(32)31(3)21-10-11-23-22(16-21)26(28-17-27-23)29-20-8-6-18(7-9-20)14-19-12-13-30(2)25(33)15-19/h6-13,15-17H,14H2,1-3H3,(H,27,28,29)
InChIKeyFSEPSEACDBAHDV-UHFFFAOYSA-N
XLogP3.65
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-methyl-N-[4-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]anilino]quinazolin-6-yl]but-2-ynamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[3-methyl-4-[(1-methyl-2-oxo-4-pyridinyl)oxy]anilino]quinazolin-6-yl]but-2-ynamide
CID 162431941
5-hydroxy-N-methyl-N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]pent-2-ynamide
CID 162431836
5-hydroxy-N-methyl-N-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]pent-2-ynamide
CID 162431826
1,1,3-trimethyl-3-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]urea
CID 58140170
4-N-(4-propylphenyl)quinazoline-4,6-diamine
CID 64589074
3-methylidene-1-[4-[4-[(6-methyl-3-pyridinyl)methyl]anilino]quinazolin-6-yl]pyrrolidin-2-one
CID 164561998
1-[4-[[7-(dimethylamino)quinazolin-4-yl]amino]phenyl]-3-phenylpropan-2-one
CID 165080774
4-[2-[4-(4-benzylanilino)quinazolin-6-yl]ethynyl]-1-methylpiperidin-4-ol
CID 18616674
2-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]acetonitrile
CID 64589511
methyl 3-[4-[(6-fluoroquinazolin-4-yl)amino]phenyl]-2-methylpropanoate
CID 133466647
4-(dimethylamino)-N-[4-(4-imidazo[1,2-c]pyrimidin-7-yloxyanilino)quinazolin-6-yl]but-2-ynamide
CID 162431908
N-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]-2-(diethylamino)acetamide
CID 141333726

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]anilino]quinazolin-6-yl]but-2-ynamide?
The IUPAC name of N-methyl-N-[4-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]anilino]quinazolin-6-yl]but-2-ynamide (CID 162431399) is N-methyl-N-[4-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]anilino]quinazolin-6-yl]but-2-ynamide.
What is the SMILES notation for N-methyl-N-[4-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]anilino]quinazolin-6-yl]but-2-ynamide?
The canonical SMILES for N-methyl-N-[4-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]anilino]quinazolin-6-yl]but-2-ynamide is CC#CC(=O)N(C)c1ccc2ncnc(Nc3ccc(Cc4ccn(C)c(=O)c4)cc3)c2c1.
What is the InChIKey of N-methyl-N-[4-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]anilino]quinazolin-6-yl]but-2-ynamide?
The InChIKey is FSEPSEACDBAHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-4-5-24(32)31(3)21-10-11-23-22(16-21)26(28-17-27-23)29-20-8-6-18(7-9-20)14-19-12-13-30(2)25(33)15-19/h6-13,15-17H,14H2,1-3H3,(H,27,28,29).
What are the key properties of N-methyl-N-[4-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]anilino]quinazolin-6-yl]but-2-ynamide?
N-methyl-N-[4-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]anilino]quinazolin-6-yl]but-2-ynamide has a molecular weight of 437.50 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]anilino]quinazolin-6-yl]but-2-ynamide is sourced from PubChem (CID 162431399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).