2-(4-chlorophenoxy)-N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)acetamide

C22H21ClN4O2 — CID 17101071

IUPAC2-(4-chlorophenoxy)-N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)acetamide
SMILESCCCn1nc(NC(=O)COc2ccc(Cl)cc2)c2cc3cc(C)ccc3nc21
InChIInChI=1S/C22H21ClN4O2/c1-3-10-27-22-18(12-15-11-14(2)4-9-19(15)24-22)21(26-27)25-20(28)13-29-17-7-5-16(23)6-8-17/h4-9,11-12H,3,10,13H2,1-2H3,(H,25,26,28)
InChIKeySTLIUZLSQSMIOH-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.97
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)acetamide

2-(4-chlorophenoxy)-N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)acetamide (PubChem CID 17101071) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)acetamide
PubChem CID17101071
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name2-(4-chlorophenoxy)-N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)acetamide
SMILESCCCn1nc(NC(=O)COc2ccc(Cl)cc2)c2cc3cc(C)ccc3nc21
InChIInChI=1S/C22H21ClN4O2/c1-3-10-27-22-18(12-15-11-14(2)4-9-19(15)24-22)21(26-27)25-20(28)13-29-17-7-5-16(23)6-8-17/h4-9,11-12H,3,10,13H2,1-2H3,(H,25,26,28)
InChIKeySTLIUZLSQSMIOH-UHFFFAOYSA-N
XLogP4.97
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)-2-(4-methylphenoxy)acetamide
CID 3162714
2-(4-chlorophenoxy)-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)acetamide
CID 17101011
N-(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)benzamide
CID 946372
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 1293205
2-methoxy-N-[7-methyl-1-(2-methylpropyl)pyrazolo[5,4-b]quinolin-3-yl]acetamide
CID 942337
2-(4-methylphenoxy)-N-(1-propyltetrazol-5-yl)acetamide
CID 960277
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(4-chlorophenoxy)acetamide
CID 42732663
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]-2-phenoxyacetamide
CID 2954030
2-(4-chlorophenoxy)-1-(6-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)ethanone
CID 20996239
N-(5-amino-3-methyl-2-pyridinyl)-2-(4-chlorophenoxy)acetamide
CID 115910719
N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-propan-2-yloxypropanamide
CID 4903104
2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide
CID 1012475

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)acetamide (CID 17101071) is 2-(4-chlorophenoxy)-N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)acetamide is CCCn1nc(NC(=O)COc2ccc(Cl)cc2)c2cc3cc(C)ccc3nc21.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)acetamide?
The InChIKey is STLIUZLSQSMIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c1-3-10-27-22-18(12-15-11-14(2)4-9-19(15)24-22)21(26-27)25-20(28)13-29-17-7-5-16(23)6-8-17/h4-9,11-12H,3,10,13H2,1-2H3,(H,25,26,28).
What are the key properties of 2-(4-chlorophenoxy)-N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)acetamide?
2-(4-chlorophenoxy)-N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)acetamide has a molecular weight of 408.89 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(6-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)acetamide is sourced from PubChem (CID 17101071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).