ethyl 4-amino-6-propylquinoline-3-carboxylate

C15H18N2O2 — CID 55044912

IUPACethyl 4-amino-6-propylquinoline-3-carboxylate
SMILESCCCc1ccc2ncc(C(=O)OCC)c(N)c2c1
InChIInChI=1S/C15H18N2O2/c1-3-5-10-6-7-13-11(8-10)14(16)12(9-17-13)15(18)19-4-2/h6-9H,3-5H2,1-2H3,(H2,16,17)
InChIKeyPINXULMTBCTAND-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.95
Rot. Bonds4

About ethyl 4-amino-6-propylquinoline-3-carboxylate

ethyl 4-amino-6-propylquinoline-3-carboxylate (PubChem CID 55044912) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 4-amino-6-propylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-propylquinoline-3-carboxylate
PubChem CID55044912
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nameethyl 4-amino-6-propylquinoline-3-carboxylate
SMILESCCCc1ccc2ncc(C(=O)OCC)c(N)c2c1
InChIInChI=1S/C15H18N2O2/c1-3-5-10-6-7-13-11(8-10)14(16)12(9-17-13)15(18)19-4-2/h6-9H,3-5H2,1-2H3,(H2,16,17)
InChIKeyPINXULMTBCTAND-UHFFFAOYSA-N
XLogP2.95
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-chloro-6-propylquinoline-3-carboxylate
CID 30058351
diethyl 4-aminoquinoline-3,6-dicarboxylate
CID 17028175
ethane;ethyl 4-aminoquinoline-3-carboxylate
CID 143157176
ethyl 4-amino-7-chloroquinoline-3-carboxylate
CID 609428
ethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate
CID 103996712
ethyl 4-amino-6-[(4-chlorobenzoyl)amino]quinoline-3-carboxylate
CID 39851604
ethyl 10-butyl-4-oxopyrimido[1,2-c]quinazoline-3-carboxylate
CID 13060540
methyl 6-propylquinoline-4-carboxylate
CID 102941688
ethyl 4-amino-6-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]quinoline-3-carboxylate
CID 39851612
diethyl 5-propylpyridine-2,3-dicarboxylate
CID 14097634
ethyl 4-amino-6-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]quinoline-3-carboxylate
CID 39851583
methyl 6-butyl-4-(methylamino)quinoline-3-carboxylate
CID 102614811

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-propylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-amino-6-propylquinoline-3-carboxylate (CID 55044912) is ethyl 4-amino-6-propylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-propylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-amino-6-propylquinoline-3-carboxylate is CCCc1ccc2ncc(C(=O)OCC)c(N)c2c1.
What is the InChIKey of ethyl 4-amino-6-propylquinoline-3-carboxylate?
The InChIKey is PINXULMTBCTAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-5-10-6-7-13-11(8-10)14(16)12(9-17-13)15(18)19-4-2/h6-9H,3-5H2,1-2H3,(H2,16,17).
What are the key properties of ethyl 4-amino-6-propylquinoline-3-carboxylate?
ethyl 4-amino-6-propylquinoline-3-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-propylquinoline-3-carboxylate is sourced from PubChem (CID 55044912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).