N-[4-(butylamino)-6-(4-chlorophenyl)quinazolin-2-yl]acetamide

C20H21ClN4O — CID 69015295

IUPACN-[4-(butylamino)-6-(4-chlorophenyl)quinazolin-2-yl]acetamide
SMILESCCCCNc1nc(NC(C)=O)nc2ccc(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C20H21ClN4O/c1-3-4-11-22-19-17-12-15(14-5-8-16(21)9-6-14)7-10-18(17)24-20(25-19)23-13(2)26/h5-10,12H,3-4,11H2,1-2H3,(H2,22,23,24,25,26)
InChIKeyZHFCOPXTDWDGLF-UHFFFAOYSA-N
MW368.87 g/mol
LogP5.12
Rot. Bonds6

About N-[4-(butylamino)-6-(4-chlorophenyl)quinazolin-2-yl]acetamide

N-[4-(butylamino)-6-(4-chlorophenyl)quinazolin-2-yl]acetamide (PubChem CID 69015295) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is N-[4-(butylamino)-6-(4-chlorophenyl)quinazolin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(butylamino)-6-(4-chlorophenyl)quinazolin-2-yl]acetamide
PubChem CID69015295
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC NameN-[4-(butylamino)-6-(4-chlorophenyl)quinazolin-2-yl]acetamide
SMILESCCCCNc1nc(NC(C)=O)nc2ccc(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C20H21ClN4O/c1-3-4-11-22-19-17-12-15(14-5-8-16(21)9-6-14)7-10-18(17)24-20(25-19)23-13(2)26/h5-10,12H,3-4,11H2,1-2H3,(H2,22,23,24,25,26)
InChIKeyZHFCOPXTDWDGLF-UHFFFAOYSA-N
XLogP5.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.87
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-butyl-6-methyl-2-N-prop-2-enylquinazoline-2,4-diamine
CID 20718728
4-N-butyl-6-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine
CID 71041843
acetic acid;4-chloro-N-[4-(ethylamino)quinazolin-2-yl]benzamide
CID 142877600
methane;6-methyl-4-N-pentyl-2-N-prop-2-enylquinazoline-2,4-diamine
CID 159347736
N-(2,6-dichloroquinazolin-4-yl)acetamide
CID 133062371
4-N-heptyl-6-methyl-2-N-prop-2-enylquinazoline-2,4-diamine;methane
CID 157492585
[7-(butylamino)-1H-pyrazolo[4,5-d]pyrimidin-5-yl]carbamic acid
CID 146316599
2-(butylamino)-6-chloro-3,1-benzoxazin-4-one
CID 42695236
N-[2-benzamido-6-(butylamino)pyrimidin-4-yl]benzamide
CID 58205178
4-(2-amino-4-ethoxyquinazolin-6-yl)-N-butylbenzamide
CID 68599915
N-[6-(4-fluorophenyl)-4-(1,2,4-triazol-1-yl)quinazolin-2-yl]acetamide
CID 70880579
2-(4-chlorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
CID 82169167

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylamino)-6-(4-chlorophenyl)quinazolin-2-yl]acetamide?
The IUPAC name of N-[4-(butylamino)-6-(4-chlorophenyl)quinazolin-2-yl]acetamide (CID 69015295) is N-[4-(butylamino)-6-(4-chlorophenyl)quinazolin-2-yl]acetamide.
What is the SMILES notation for N-[4-(butylamino)-6-(4-chlorophenyl)quinazolin-2-yl]acetamide?
The canonical SMILES for N-[4-(butylamino)-6-(4-chlorophenyl)quinazolin-2-yl]acetamide is CCCCNc1nc(NC(C)=O)nc2ccc(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of N-[4-(butylamino)-6-(4-chlorophenyl)quinazolin-2-yl]acetamide?
The InChIKey is ZHFCOPXTDWDGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-3-4-11-22-19-17-12-15(14-5-8-16(21)9-6-14)7-10-18(17)24-20(25-19)23-13(2)26/h5-10,12H,3-4,11H2,1-2H3,(H2,22,23,24,25,26).
What are the key properties of N-[4-(butylamino)-6-(4-chlorophenyl)quinazolin-2-yl]acetamide?
N-[4-(butylamino)-6-(4-chlorophenyl)quinazolin-2-yl]acetamide has a molecular weight of 368.87 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylamino)-6-(4-chlorophenyl)quinazolin-2-yl]acetamide is sourced from PubChem (CID 69015295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).