phenyl 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate

C22H23N3O3 — CID 110363139

IUPACphenyl 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
SMILESCc1ccc2cc(CN3CCN(C(=O)Oc4ccccc4)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C22H23N3O3/c1-16-7-8-17-14-18(21(26)23-20(17)13-16)15-24-9-11-25(12-10-24)22(27)28-19-5-3-2-4-6-19/h2-8,13-14H,9-12,15H2,1H3,(H,23,26)
InChIKeyQSOSWJKMZFGDMI-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.15
Rot. Bonds3

About phenyl 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate

phenyl 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate (PubChem CID 110363139) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is phenyl 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
PubChem CID110363139
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Namephenyl 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
SMILESCc1ccc2cc(CN3CCN(C(=O)Oc4ccccc4)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C22H23N3O3/c1-16-7-8-17-14-18(21(26)23-20(17)13-16)15-24-9-11-25(12-10-24)22(27)28-19-5-3-2-4-6-19/h2-8,13-14H,9-12,15H2,1H3,(H,23,26)
InChIKeyQSOSWJKMZFGDMI-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]-7-methyl-1H-quinolin-2-one
CID 110363111
phenyl 4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363086
methyl 4-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363188
4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 110363142
3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 110362990
6-methyl-3-[[4-(3-methylbenzoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110363164
7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56751376
3-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110362987
3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 56747678
7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one
CID 53174829
7-methoxy-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110363214
7-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-1H-quinolin-2-one
CID 56720957

Frequently Asked Questions

What is the IUPAC name of phenyl 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate?
The IUPAC name of phenyl 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate (CID 110363139) is phenyl 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate is Cc1ccc2cc(CN3CCN(C(=O)Oc4ccccc4)CC3)c(=O)[nH]c2c1.
What is the InChIKey of phenyl 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate?
The InChIKey is QSOSWJKMZFGDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16-7-8-17-14-18(21(26)23-20(17)13-16)15-24-9-11-25(12-10-24)22(27)28-19-5-3-2-4-6-19/h2-8,13-14H,9-12,15H2,1H3,(H,23,26).
What are the key properties of phenyl 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate?
phenyl 4-[(7-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-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 110363139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).