N-(4-butylphenyl)-2-(7-chloro-4-oxoquinolin-1-yl)acetamide

C21H21ClN2O2 — CID 100739255

IUPACN-(4-butylphenyl)-2-(7-chloro-4-oxoquinolin-1-yl)acetamide
SMILESCCCCc1ccc(NC(=O)Cn2ccc(=O)c3ccc(Cl)cc32)cc1
InChIInChI=1S/C21H21ClN2O2/c1-2-3-4-15-5-8-17(9-6-15)23-21(26)14-24-12-11-20(25)18-10-7-16(22)13-19(18)24/h5-13H,2-4,14H2,1H3,(H,23,26)
InChIKeyMUBKQUJBEGSJFA-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.64
Rot. Bonds6

About N-(4-butylphenyl)-2-(7-chloro-4-oxoquinolin-1-yl)acetamide

N-(4-butylphenyl)-2-(7-chloro-4-oxoquinolin-1-yl)acetamide (PubChem CID 100739255) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(7-chloro-4-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(7-chloro-4-oxoquinolin-1-yl)acetamide
PubChem CID100739255
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC NameN-(4-butylphenyl)-2-(7-chloro-4-oxoquinolin-1-yl)acetamide
SMILESCCCCc1ccc(NC(=O)Cn2ccc(=O)c3ccc(Cl)cc32)cc1
InChIInChI=1S/C21H21ClN2O2/c1-2-3-4-15-5-8-17(9-6-15)23-21(26)14-24-12-11-20(25)18-10-7-16(22)13-19(18)24/h5-13H,2-4,14H2,1H3,(H,23,26)
InChIKeyMUBKQUJBEGSJFA-UHFFFAOYSA-N
XLogP4.64
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide
CID 100738455
2-(7-chloro-4-oxoquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100738649
2-(7-chloro-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 100739307
2-(7-chloro-4-oxoquinolin-1-yl)-N,N-diethylacetamide
CID 100738906
N-(4-chlorophenyl)-2-(6-methyl-4-oxoquinolin-1-yl)acetamide
CID 100741578
N-(4-bromophenyl)-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 43833238
N-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 100734647
N-(4-butylphenyl)-2-(5-ethoxyindol-1-yl)acetamide
CID 110830896
2-(7-chloro-4-oxoquinolin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 100738706
N-(4-butylphenyl)-2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 23409217
N-(4-butylphenyl)-2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 16798465
N-(4-butylphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064337

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(7-chloro-4-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-(4-butylphenyl)-2-(7-chloro-4-oxoquinolin-1-yl)acetamide (CID 100739255) is N-(4-butylphenyl)-2-(7-chloro-4-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(7-chloro-4-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-(7-chloro-4-oxoquinolin-1-yl)acetamide is CCCCc1ccc(NC(=O)Cn2ccc(=O)c3ccc(Cl)cc32)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(7-chloro-4-oxoquinolin-1-yl)acetamide?
The InChIKey is MUBKQUJBEGSJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-2-3-4-15-5-8-17(9-6-15)23-21(26)14-24-12-11-20(25)18-10-7-16(22)13-19(18)24/h5-13H,2-4,14H2,1H3,(H,23,26).
What are the key properties of N-(4-butylphenyl)-2-(7-chloro-4-oxoquinolin-1-yl)acetamide?
N-(4-butylphenyl)-2-(7-chloro-4-oxoquinolin-1-yl)acetamide has a molecular weight of 368.86 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(7-chloro-4-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 100739255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).