ethyl 4-[[(2R)-oxolan-2-yl]methylamino]quinoline-3-carboxylate

C17H20N2O3 — CID 94374245

IUPACethyl 4-[[(2R)-oxolan-2-yl]methylamino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1NC[C@H]1CCCO1
InChIInChI=1S/C17H20N2O3/c1-2-21-17(20)14-11-18-15-8-4-3-7-13(15)16(14)19-10-12-6-5-9-22-12/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyWTBVHVFAYKRSIQ-GFCCVEGCSA-N
MW300.36 g/mol
LogP3.00
Rot. Bonds5

About ethyl 4-[[(2R)-oxolan-2-yl]methylamino]quinoline-3-carboxylate

ethyl 4-[[(2R)-oxolan-2-yl]methylamino]quinoline-3-carboxylate (PubChem CID 94374245) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is ethyl 4-[[(2R)-oxolan-2-yl]methylamino]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(2R)-oxolan-2-yl]methylamino]quinoline-3-carboxylate
PubChem CID94374245
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Nameethyl 4-[[(2R)-oxolan-2-yl]methylamino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccccc2c1NC[C@H]1CCCO1
InChIInChI=1S/C17H20N2O3/c1-2-21-17(20)14-11-18-15-8-4-3-7-13(15)16(14)19-10-12-6-5-9-22-12/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyWTBVHVFAYKRSIQ-GFCCVEGCSA-N
XLogP3.00
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid
CID 61339890
ethyl 4-(prop-2-enylamino)quinoline-3-carboxylate
CID 13295816
ethyl 4-(2-morpholin-4-ylpropylamino)quinoline-3-carboxylate
CID 133277740
4-(morpholin-2-ylmethylamino)quinoline-3-carboxamide
CID 115324262
ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate
CID 709117
ethyl 2-amino-5-(oxolan-2-ylmethylamino)benzoate
CID 61305308
ethyl 4-[(3-ethylsulfinylcyclohexyl)amino]quinoline-3-carboxylate
CID 133338071
ethyl N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]carbamate
CID 113025422
ethyl 4-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]quinoline-3-carboxylate
CID 49429094
ethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate
CID 66715927
ethyl 4-[cyclopropylmethyl(methyl)amino]quinoline-3-carboxylate
CID 133277761
ethane;ethyl 4-aminoquinoline-3-carboxylate
CID 143157176

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2R)-oxolan-2-yl]methylamino]quinoline-3-carboxylate?
The IUPAC name of ethyl 4-[[(2R)-oxolan-2-yl]methylamino]quinoline-3-carboxylate (CID 94374245) is ethyl 4-[[(2R)-oxolan-2-yl]methylamino]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[[(2R)-oxolan-2-yl]methylamino]quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[[(2R)-oxolan-2-yl]methylamino]quinoline-3-carboxylate is CCOC(=O)c1cnc2ccccc2c1NC[C@H]1CCCO1.
What is the InChIKey of ethyl 4-[[(2R)-oxolan-2-yl]methylamino]quinoline-3-carboxylate?
The InChIKey is WTBVHVFAYKRSIQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-21-17(20)14-11-18-15-8-4-3-7-13(15)16(14)19-10-12-6-5-9-22-12/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H,18,19)/t12-/m1/s1.
What are the key properties of ethyl 4-[[(2R)-oxolan-2-yl]methylamino]quinoline-3-carboxylate?
ethyl 4-[[(2R)-oxolan-2-yl]methylamino]quinoline-3-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2R)-oxolan-2-yl]methylamino]quinoline-3-carboxylate is sourced from PubChem (CID 94374245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).