methyl 2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-2-methylpropanoate

C19H28N2O4 — CID 67519759

IUPACmethyl 2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-2-methylpropanoate
SMILESCCCCn1c2c(cc(C(=O)NC(C)(C)C(=O)OC)c1=O)CCCC2
InChIInChI=1S/C19H28N2O4/c1-5-6-11-21-15-10-8-7-9-13(15)12-14(17(21)23)16(22)20-19(2,3)18(24)25-4/h12H,5-11H2,1-4H3,(H,20,22)
InChIKeyQCKFGAFHTITDDN-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.21
Rot. Bonds6

About methyl 2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-2-methylpropanoate

methyl 2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-2-methylpropanoate (PubChem CID 67519759) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is methyl 2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-2-methylpropanoate
PubChem CID67519759
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Namemethyl 2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-2-methylpropanoate
SMILESCCCCn1c2c(cc(C(=O)NC(C)(C)C(=O)OC)c1=O)CCCC2
InChIInChI=1S/C19H28N2O4/c1-5-6-11-21-15-10-8-7-9-13(15)12-14(17(21)23)16(22)20-19(2,3)18(24)25-4/h12H,5-11H2,1-4H3,(H,20,22)
InChIKeyQCKFGAFHTITDDN-UHFFFAOYSA-N
XLogP2.21
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-2-methylpropanoate (CID 67519759) is methyl 2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-2-methylpropanoate is CCCCn1c2c(cc(C(=O)NC(C)(C)C(=O)OC)c1=O)CCCC2.
What is the InChIKey of methyl 2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-2-methylpropanoate?
The InChIKey is QCKFGAFHTITDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-5-6-11-21-15-10-8-7-9-13(15)12-14(17(21)23)16(22)20-19(2,3)18(24)25-4/h12H,5-11H2,1-4H3,(H,20,22).
What are the key properties of methyl 2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-2-methylpropanoate?
methyl 2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-2-methylpropanoate has a molecular weight of 348.44 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-2-methylpropanoate is sourced from PubChem (CID 67519759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).