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

C17H22N2O3 — CID 91901357

IUPACethyl 4-(3-methylbutylamino)-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(NCCC(C)C)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H22N2O3/c1-4-22-17(21)14-15(18-10-9-11(2)3)12-7-5-6-8-13(12)19-16(14)20/h5-8,11H,4,9-10H2,1-3H3,(H2,18,19,20)
InChIKeyUGALPWKVJRGKBS-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.16
Rot. Bonds6

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

ethyl 4-(3-methylbutylamino)-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 91901357) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is ethyl 4-(3-methylbutylamino)-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-methylbutylamino)-2-oxo-1H-quinoline-3-carboxylate
PubChem CID91901357
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Nameethyl 4-(3-methylbutylamino)-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(NCCC(C)C)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H22N2O3/c1-4-22-17(21)14-15(18-10-9-11(2)3)12-7-5-6-8-13(12)19-16(14)20/h5-8,11H,4,9-10H2,1-3H3,(H2,18,19,20)
InChIKeyUGALPWKVJRGKBS-UHFFFAOYSA-N
XLogP3.16
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-(dimethylamino)ethylamino]-2-oxo-1H-quinoline-3-carboxylate
CID 913126
ethyl 2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylate
CID 15722478
methyl 8-chloro-4-(3-methylbutylamino)-2-oxo-1H-quinoline-3-carboxylate
CID 53063017
ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 21474001
ethyl 4-(iodomethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 89329733
ethyl 7-chloro-2-oxo-4-[[(1R)-1-phenylethyl]amino]-1H-quinoline-3-carboxylate
CID 92888655
ethyl 4-(3-methylbutylamino)cinnoline-3-carboxylate
CID 64624176
1-N-(2-methyl-1H-indol-3-yl)butane-1,3-diamine
CID 115199020
2-oxo-4-(3-phenylpropylamino)-1H-quinoline-3-carboxylic acid
CID 53349705
ethyl 6-chloro-4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carboxylate
CID 50776714
ethyl 4-morpholin-4-yl-2-oxo-1H-quinoline-3-carboxylate
CID 779668
ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-methylbutylamino)-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(3-methylbutylamino)-2-oxo-1H-quinoline-3-carboxylate (CID 91901357) is ethyl 4-(3-methylbutylamino)-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(3-methylbutylamino)-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(3-methylbutylamino)-2-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(NCCC(C)C)c2ccccc2[nH]c1=O.
What is the InChIKey of ethyl 4-(3-methylbutylamino)-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is UGALPWKVJRGKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-4-22-17(21)14-15(18-10-9-11(2)3)12-7-5-6-8-13(12)19-16(14)20/h5-8,11H,4,9-10H2,1-3H3,(H2,18,19,20).
What are the key properties of ethyl 4-(3-methylbutylamino)-2-oxo-1H-quinoline-3-carboxylate?
ethyl 4-(3-methylbutylamino)-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 302.37 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-methylbutylamino)-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 91901357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).