ethyl 4-[(7-chloro-2-phenylquinolin-4-yl)amino]piperidine-1-carboxylate

C23H24ClN3O2 — CID 166442180

IUPACethyl 4-[(7-chloro-2-phenylquinolin-4-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(-c3ccccc3)nc3cc(Cl)ccc23)CC1
InChIInChI=1S/C23H24ClN3O2/c1-2-29-23(28)27-12-10-18(11-13-27)25-22-15-20(16-6-4-3-5-7-16)26-21-14-17(24)8-9-19(21)22/h3-9,14-15,18H,2,10-13H2,1H3,(H,25,26)
InChIKeyOASQSLWZJHSNLF-UHFFFAOYSA-N
MW409.92 g/mol
LogP5.59
Rot. Bonds4

About ethyl 4-[(7-chloro-2-phenylquinolin-4-yl)amino]piperidine-1-carboxylate

ethyl 4-[(7-chloro-2-phenylquinolin-4-yl)amino]piperidine-1-carboxylate (PubChem CID 166442180) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is ethyl 4-[(7-chloro-2-phenylquinolin-4-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(7-chloro-2-phenylquinolin-4-yl)amino]piperidine-1-carboxylate
PubChem CID166442180
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Nameethyl 4-[(7-chloro-2-phenylquinolin-4-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(-c3ccccc3)nc3cc(Cl)ccc23)CC1
InChIInChI=1S/C23H24ClN3O2/c1-2-29-23(28)27-12-10-18(11-13-27)25-22-15-20(16-6-4-3-5-7-16)26-21-14-17(24)8-9-19(21)22/h3-9,14-15,18H,2,10-13H2,1H3,(H,25,26)
InChIKeyOASQSLWZJHSNLF-UHFFFAOYSA-N
XLogP5.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.92
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[2-(cyclopropylamino)-6-phenylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112933135
ethyl 4-[(6-chloro-1,3-benzoxazol-2-yl)amino]piperidine-1-carboxylate
CID 68700029
ethyl 4-(4-chloro-2-formamidoanilino)piperidine-1-carboxylate
CID 168651983
ethyl 4-[[2-(2-methoxyethylamino)-6-phenylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112935027
ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
CID 2846949
ethyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 62482125
ethyl 4-[(4-oxo-3,1-benzoxazin-2-yl)amino]piperidine-1-carboxylate
CID 72702552
ethyl 4-[2-[(1-amino-2-chloroethylidene)amino]-4-chloroanilino]piperidine-1-carboxylate
CID 169368878
ethyl 4-[[6-(2-chloroanilino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112875223
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 4-[4-chloro-2-(1,2,2-tricyanoethenylamino)anilino]piperidine-1-carboxylate
CID 168609938
N-(1-benzylpiperidin-4-yl)-7-chloro-2-phenylquinoline-4-carboxamide
CID 86272150

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(7-chloro-2-phenylquinolin-4-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(7-chloro-2-phenylquinolin-4-yl)amino]piperidine-1-carboxylate (CID 166442180) is ethyl 4-[(7-chloro-2-phenylquinolin-4-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(7-chloro-2-phenylquinolin-4-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(7-chloro-2-phenylquinolin-4-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cc(-c3ccccc3)nc3cc(Cl)ccc23)CC1.
What is the InChIKey of ethyl 4-[(7-chloro-2-phenylquinolin-4-yl)amino]piperidine-1-carboxylate?
The InChIKey is OASQSLWZJHSNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-2-29-23(28)27-12-10-18(11-13-27)25-22-15-20(16-6-4-3-5-7-16)26-21-14-17(24)8-9-19(21)22/h3-9,14-15,18H,2,10-13H2,1H3,(H,25,26).
What are the key properties of ethyl 4-[(7-chloro-2-phenylquinolin-4-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(7-chloro-2-phenylquinolin-4-yl)amino]piperidine-1-carboxylate has a molecular weight of 409.92 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(7-chloro-2-phenylquinolin-4-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 166442180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).