ethyl 4-(2-methylpropylamino)-2-oxo-1H-quinoline-3-carboxylate

C16H20N2O3 — CID 913285

IUPACethyl 4-(2-methylpropylamino)-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(NCC(C)C)c2ccccc2[nH]c1=O
InChIInChI=1S/C16H20N2O3/c1-4-21-16(20)13-14(17-9-10(2)3)11-7-5-6-8-12(11)18-15(13)19/h5-8,10H,4,9H2,1-3H3,(H2,17,18,19)
InChIKeyGCRBTKCBIQNBNH-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.77
Rot. Bonds5

About ethyl 4-(2-methylpropylamino)-2-oxo-1H-quinoline-3-carboxylate

ethyl 4-(2-methylpropylamino)-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 913285) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethyl 4-(2-methylpropylamino)-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methylpropylamino)-2-oxo-1H-quinoline-3-carboxylate
PubChem CID913285
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Nameethyl 4-(2-methylpropylamino)-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(NCC(C)C)c2ccccc2[nH]c1=O
InChIInChI=1S/C16H20N2O3/c1-4-21-16(20)13-14(17-9-10(2)3)11-7-5-6-8-12(11)18-15(13)19/h5-8,10H,4,9H2,1-3H3,(H2,17,18,19)
InChIKeyGCRBTKCBIQNBNH-UHFFFAOYSA-N
XLogP2.77
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methylpropylamino)-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(2-methylpropylamino)-2-oxo-1H-quinoline-3-carboxylate (CID 913285) is ethyl 4-(2-methylpropylamino)-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-methylpropylamino)-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(2-methylpropylamino)-2-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(NCC(C)C)c2ccccc2[nH]c1=O.
What is the InChIKey of ethyl 4-(2-methylpropylamino)-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is GCRBTKCBIQNBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-21-16(20)13-14(17-9-10(2)3)11-7-5-6-8-12(11)18-15(13)19/h5-8,10H,4,9H2,1-3H3,(H2,17,18,19).
What are the key properties of ethyl 4-(2-methylpropylamino)-2-oxo-1H-quinoline-3-carboxylate?
ethyl 4-(2-methylpropylamino)-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methylpropylamino)-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 913285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).