phenyl 4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate

C22H23N3O3 — CID 110363086

IUPACphenyl 4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
SMILESCc1cccc2cc(CN3CCN(C(=O)Oc4ccccc4)CC3)c(=O)[nH]c12
InChIInChI=1S/C22H23N3O3/c1-16-6-5-7-17-14-18(21(26)23-20(16)17)15-24-10-12-25(13-11-24)22(27)28-19-8-3-2-4-9-19/h2-9,14H,10-13,15H2,1H3,(H,23,26)
InChIKeyFLEMLDJDMZELBY-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.15
Rot. Bonds3

About phenyl 4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate

phenyl 4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate (PubChem CID 110363086) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is phenyl 4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
PubChem CID110363086
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Namephenyl 4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
SMILESCc1cccc2cc(CN3CCN(C(=O)Oc4ccccc4)CC3)c(=O)[nH]c12
InChIInChI=1S/C22H23N3O3/c1-16-6-5-7-17-14-18(21(26)23-20(16)17)15-24-10-12-25(13-11-24)22(27)28-19-8-3-2-4-9-19/h2-9,14H,10-13,15H2,1H3,(H,23,26)
InChIKeyFLEMLDJDMZELBY-UHFFFAOYSA-N
XLogP3.15
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 110363057
phenyl 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363139
N,N-diethyl-4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxamide
CID 110363088
8-methyl-3-[(4-pentanoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 110363048
2-[[4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 56702172
8-methyl-3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1H-quinolin-2-one
CID 91782616
6,8-dimethyl-3-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 131931591
8-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110331072
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 110363318
3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 110362990
methyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363188

Frequently Asked Questions

What is the IUPAC name of phenyl 4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate?
The IUPAC name of phenyl 4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate (CID 110363086) is phenyl 4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate is Cc1cccc2cc(CN3CCN(C(=O)Oc4ccccc4)CC3)c(=O)[nH]c12.
What is the InChIKey of phenyl 4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate?
The InChIKey is FLEMLDJDMZELBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16-6-5-7-17-14-18(21(26)23-20(16)17)15-24-10-12-25(13-11-24)22(27)28-19-8-3-2-4-9-19/h2-9,14H,10-13,15H2,1H3,(H,23,26).
What are the key properties of phenyl 4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate?
phenyl 4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 110363086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).