N-[2-[4-(quinazolin-4-ylamino)but-1-ynyl]phenyl]acetamide

C20H18N4O — CID 67890192

IUPACN-[2-[4-(quinazolin-4-ylamino)but-1-ynyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C#CCCNc1ncnc2ccccc12
InChIInChI=1S/C20H18N4O/c1-15(25)24-18-11-4-2-8-16(18)9-6-7-13-21-20-17-10-3-5-12-19(17)22-14-23-20/h2-5,8,10-12,14H,7,13H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyISFPEQPIYHQRKV-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.44
Rot. Bonds4

About N-[2-[4-(quinazolin-4-ylamino)but-1-ynyl]phenyl]acetamide

N-[2-[4-(quinazolin-4-ylamino)but-1-ynyl]phenyl]acetamide (PubChem CID 67890192) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[2-[4-(quinazolin-4-ylamino)but-1-ynyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(quinazolin-4-ylamino)but-1-ynyl]phenyl]acetamide
PubChem CID67890192
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-[2-[4-(quinazolin-4-ylamino)but-1-ynyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1C#CCCNc1ncnc2ccccc12
InChIInChI=1S/C20H18N4O/c1-15(25)24-18-11-4-2-8-16(18)9-6-7-13-21-20-17-10-3-5-12-19(17)22-14-23-20/h2-5,8,10-12,14H,7,13H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyISFPEQPIYHQRKV-UHFFFAOYSA-N
XLogP3.44
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
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-(2-methoxyphenyl)but-3-ynyl]quinazolin-4-amine
CID 67890166
N-[4-(2,3-dichlorophenyl)but-3-ynyl]quinazolin-4-amine
CID 67890201
N-[4-[2-(methoxymethyl)phenyl]but-3-ynyl]quinazolin-4-amine
CID 67604240
N-[4-(2-propan-2-yloxyphenyl)but-3-ynyl]quinazolin-4-amine
CID 67601884
N-[4-(4-trimethylsilylphenyl)but-3-ynyl]quinazolin-4-amine
CID 67890163
N-[4-[4-(dimethylamino)phenyl]but-3-ynyl]quinazolin-4-amine
CID 67890191
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
[3-[4-(quinazolin-4-ylamino)but-1-ynyl]phenyl]methanol
CID 67604958
N-[4-(cyclohexen-1-yl)but-3-ynyl]quinazolin-4-amine
CID 67604435
N-[4-(4-butylphenyl)but-3-ynyl]quinazolin-4-amine
CID 67890159
N-(2-methoxyphenyl)-3-(quinazolin-4-ylamino)propanamide
CID 110437187

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(quinazolin-4-ylamino)but-1-ynyl]phenyl]acetamide?
The IUPAC name of N-[2-[4-(quinazolin-4-ylamino)but-1-ynyl]phenyl]acetamide (CID 67890192) is N-[2-[4-(quinazolin-4-ylamino)but-1-ynyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[4-(quinazolin-4-ylamino)but-1-ynyl]phenyl]acetamide?
The canonical SMILES for N-[2-[4-(quinazolin-4-ylamino)but-1-ynyl]phenyl]acetamide is CC(=O)Nc1ccccc1C#CCCNc1ncnc2ccccc12.
What is the InChIKey of N-[2-[4-(quinazolin-4-ylamino)but-1-ynyl]phenyl]acetamide?
The InChIKey is ISFPEQPIYHQRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-15(25)24-18-11-4-2-8-16(18)9-6-7-13-21-20-17-10-3-5-12-19(17)22-14-23-20/h2-5,8,10-12,14H,7,13H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-[2-[4-(quinazolin-4-ylamino)but-1-ynyl]phenyl]acetamide?
N-[2-[4-(quinazolin-4-ylamino)but-1-ynyl]phenyl]acetamide has a molecular weight of 330.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(quinazolin-4-ylamino)but-1-ynyl]phenyl]acetamide is sourced from PubChem (CID 67890192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).