4-(2-ethylbutylamino)-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide

C23H28N4O2 — CID 155558433

IUPAC4-(2-ethylbutylamino)-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide
SMILESCCC(CC)CNc1c(C(N)=O)cnc2ccc(-c3ccc(COC)nc3)cc12
InChIInChI=1S/C23H28N4O2/c1-4-15(5-2)11-27-22-19-10-16(17-6-8-18(14-29-3)25-12-17)7-9-21(19)26-13-20(22)23(24)28/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H2,24,28)(H,26,27)
InChIKeyJBYTYXUMXMLDNQ-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.39
Rot. Bonds9

About 4-(2-ethylbutylamino)-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide

4-(2-ethylbutylamino)-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide (PubChem CID 155558433) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-(2-ethylbutylamino)-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2-ethylbutylamino)-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide
PubChem CID155558433
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name4-(2-ethylbutylamino)-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide
SMILESCCC(CC)CNc1c(C(N)=O)cnc2ccc(-c3ccc(COC)nc3)cc12
InChIInChI=1S/C23H28N4O2/c1-4-15(5-2)11-27-22-19-10-16(17-6-8-18(14-29-3)25-12-17)7-9-21(19)26-13-20(22)23(24)28/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H2,24,28)(H,26,27)
InChIKeyJBYTYXUMXMLDNQ-UHFFFAOYSA-N
XLogP4.39
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutylamino)-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide?
The IUPAC name of 4-(2-ethylbutylamino)-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide (CID 155558433) is 4-(2-ethylbutylamino)-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide.
What is the SMILES notation for 4-(2-ethylbutylamino)-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide?
The canonical SMILES for 4-(2-ethylbutylamino)-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide is CCC(CC)CNc1c(C(N)=O)cnc2ccc(-c3ccc(COC)nc3)cc12.
What is the InChIKey of 4-(2-ethylbutylamino)-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide?
The InChIKey is JBYTYXUMXMLDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-4-15(5-2)11-27-22-19-10-16(17-6-8-18(14-29-3)25-12-17)7-9-21(19)26-13-20(22)23(24)28/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H2,24,28)(H,26,27).
What are the key properties of 4-(2-ethylbutylamino)-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide?
4-(2-ethylbutylamino)-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.39, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutylamino)-6-[6-(methoxymethyl)-3-pyridinyl]quinoline-3-carboxamide is sourced from PubChem (CID 155558433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).