N-[4-[4-(dimethylamino)phenyl]but-3-ynyl]quinazolin-4-amine

C20H20N4 — CID 67890191

IUPACN-[4-[4-(dimethylamino)phenyl]but-3-ynyl]quinazolin-4-amine
SMILESCN(C)c1ccc(C#CCCNc2ncnc3ccccc23)cc1
InChIInChI=1S/C20H20N4/c1-24(2)17-12-10-16(11-13-17)7-5-6-14-21-20-18-8-3-4-9-19(18)22-15-23-20/h3-4,8-13,15H,6,14H2,1-2H3,(H,21,22,23)
InChIKeyXGTWTYZUXBMWOT-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.55
Rot. Bonds4

About N-[4-[4-(dimethylamino)phenyl]but-3-ynyl]quinazolin-4-amine

N-[4-[4-(dimethylamino)phenyl]but-3-ynyl]quinazolin-4-amine (PubChem CID 67890191) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[4-[4-(dimethylamino)phenyl]but-3-ynyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[4-[4-(dimethylamino)phenyl]but-3-ynyl]quinazolin-4-amine
PubChem CID67890191
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC NameN-[4-[4-(dimethylamino)phenyl]but-3-ynyl]quinazolin-4-amine
SMILESCN(C)c1ccc(C#CCCNc2ncnc3ccccc23)cc1
InChIInChI=1S/C20H20N4/c1-24(2)17-12-10-16(11-13-17)7-5-6-14-21-20-18-8-3-4-9-19(18)22-15-23-20/h3-4,8-13,15H,6,14H2,1-2H3,(H,21,22,23)
InChIKeyXGTWTYZUXBMWOT-UHFFFAOYSA-N
XLogP3.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-trimethylsilylphenyl)but-3-ynyl]quinazolin-4-amine
CID 67890163
N-[4-(4-butylphenyl)but-3-ynyl]quinazolin-4-amine
CID 67890159
N-[4-[4-(methylsulfonylmethyl)phenyl]but-3-ynyl]quinazolin-4-amine
CID 146918873
N-[4-(3,4-dichlorophenyl)but-3-ynyl]quinazolin-4-amine
CID 67890203
N-[4-[4-(4-heptylphenyl)phenyl]but-3-ynyl]quinazolin-4-amine
CID 140582895
[3-[4-(quinazolin-4-ylamino)but-1-ynyl]phenyl]methanol
CID 67604958
N-[4-(2-methoxyphenyl)but-3-ynyl]quinazolin-4-amine
CID 67890166
N-[4-[2-(methoxymethyl)phenyl]but-3-ynyl]quinazolin-4-amine
CID 67604240
N-[4-(cyclohexen-1-yl)but-3-ynyl]quinazolin-4-amine
CID 67604435
N-[4-(2,3-dichlorophenyl)but-3-ynyl]quinazolin-4-amine
CID 67890201
N-[4-(2-propan-2-yloxyphenyl)but-3-ynyl]quinazolin-4-amine
CID 67601884
N-[2-[4-(quinazolin-4-ylamino)but-1-ynyl]phenyl]acetamide
CID 67890192

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(dimethylamino)phenyl]but-3-ynyl]quinazolin-4-amine?
The IUPAC name of N-[4-[4-(dimethylamino)phenyl]but-3-ynyl]quinazolin-4-amine (CID 67890191) is N-[4-[4-(dimethylamino)phenyl]but-3-ynyl]quinazolin-4-amine.
What is the SMILES notation for N-[4-[4-(dimethylamino)phenyl]but-3-ynyl]quinazolin-4-amine?
The canonical SMILES for N-[4-[4-(dimethylamino)phenyl]but-3-ynyl]quinazolin-4-amine is CN(C)c1ccc(C#CCCNc2ncnc3ccccc23)cc1.
What is the InChIKey of N-[4-[4-(dimethylamino)phenyl]but-3-ynyl]quinazolin-4-amine?
The InChIKey is XGTWTYZUXBMWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-24(2)17-12-10-16(11-13-17)7-5-6-14-21-20-18-8-3-4-9-19(18)22-15-23-20/h3-4,8-13,15H,6,14H2,1-2H3,(H,21,22,23).
What are the key properties of N-[4-[4-(dimethylamino)phenyl]but-3-ynyl]quinazolin-4-amine?
N-[4-[4-(dimethylamino)phenyl]but-3-ynyl]quinazolin-4-amine has a molecular weight of 316.41 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(dimethylamino)phenyl]but-3-ynyl]quinazolin-4-amine is sourced from PubChem (CID 67890191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).