methyl 7-(diethylamino)-4-oxo-6-propyl-1H-quinoline-3-carboxylate

C18H24N2O3 — CID 28414

IUPACmethyl 7-(diethylamino)-4-oxo-6-propyl-1H-quinoline-3-carboxylate
SMILESCCCc1cc2c(=O)c(C(=O)OC)c[nH]c2cc1N(CC)CC
InChIInChI=1S/C18H24N2O3/c1-5-8-12-9-13-15(10-16(12)20(6-2)7-3)19-11-14(17(13)21)18(22)23-4/h9-11H,5-8H2,1-4H3,(H,19,21)
InChIKeyNMYCTBARPUAEQN-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.11
Rot. Bonds6

About methyl 7-(diethylamino)-4-oxo-6-propyl-1H-quinoline-3-carboxylate

methyl 7-(diethylamino)-4-oxo-6-propyl-1H-quinoline-3-carboxylate (PubChem CID 28414) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is methyl 7-(diethylamino)-4-oxo-6-propyl-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-(diethylamino)-4-oxo-6-propyl-1H-quinoline-3-carboxylate
PubChem CID28414
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Namemethyl 7-(diethylamino)-4-oxo-6-propyl-1H-quinoline-3-carboxylate
SMILESCCCc1cc2c(=O)c(C(=O)OC)c[nH]c2cc1N(CC)CC
InChIInChI=1S/C18H24N2O3/c1-5-8-12-9-13-15(10-16(12)20(6-2)7-3)19-11-14(17(13)21)18(22)23-4/h9-11H,5-8H2,1-4H3,(H,19,21)
InChIKeyNMYCTBARPUAEQN-UHFFFAOYSA-N
XLogP3.11
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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AS1842856
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Frequently Asked Questions

What is the IUPAC name of methyl 7-(diethylamino)-4-oxo-6-propyl-1H-quinoline-3-carboxylate?
The IUPAC name of methyl 7-(diethylamino)-4-oxo-6-propyl-1H-quinoline-3-carboxylate (CID 28414) is methyl 7-(diethylamino)-4-oxo-6-propyl-1H-quinoline-3-carboxylate.
What is the SMILES notation for methyl 7-(diethylamino)-4-oxo-6-propyl-1H-quinoline-3-carboxylate?
The canonical SMILES for methyl 7-(diethylamino)-4-oxo-6-propyl-1H-quinoline-3-carboxylate is CCCc1cc2c(=O)c(C(=O)OC)c[nH]c2cc1N(CC)CC.
What is the InChIKey of methyl 7-(diethylamino)-4-oxo-6-propyl-1H-quinoline-3-carboxylate?
The InChIKey is NMYCTBARPUAEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-5-8-12-9-13-15(10-16(12)20(6-2)7-3)19-11-14(17(13)21)18(22)23-4/h9-11H,5-8H2,1-4H3,(H,19,21).
What are the key properties of methyl 7-(diethylamino)-4-oxo-6-propyl-1H-quinoline-3-carboxylate?
methyl 7-(diethylamino)-4-oxo-6-propyl-1H-quinoline-3-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(diethylamino)-4-oxo-6-propyl-1H-quinoline-3-carboxylate is sourced from PubChem (CID 28414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).