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

C24H29N3O2 — CID 155555078

IUPAC4-(2-ethylbutylamino)-6-[4-(methoxymethyl)phenyl]quinoline-3-carboxamide
SMILESCCC(CC)CNc1c(C(N)=O)cnc2ccc(-c3ccc(COC)cc3)cc12
InChIInChI=1S/C24H29N3O2/c1-4-16(5-2)13-27-23-20-12-19(18-8-6-17(7-9-18)15-29-3)10-11-22(20)26-14-21(23)24(25)28/h6-12,14,16H,4-5,13,15H2,1-3H3,(H2,25,28)(H,26,27)
InChIKeyLWCNAFKJBINERT-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.00
Rot. Bonds9

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

4-(2-ethylbutylamino)-6-[4-(methoxymethyl)phenyl]quinoline-3-carboxamide (PubChem CID 155555078) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-(2-ethylbutylamino)-6-[4-(methoxymethyl)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2-ethylbutylamino)-6-[4-(methoxymethyl)phenyl]quinoline-3-carboxamide
PubChem CID155555078
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name4-(2-ethylbutylamino)-6-[4-(methoxymethyl)phenyl]quinoline-3-carboxamide
SMILESCCC(CC)CNc1c(C(N)=O)cnc2ccc(-c3ccc(COC)cc3)cc12
InChIInChI=1S/C24H29N3O2/c1-4-16(5-2)13-27-23-20-12-19(18-8-6-17(7-9-18)15-29-3)10-11-22(20)26-14-21(23)24(25)28/h6-12,14,16H,4-5,13,15H2,1-3H3,(H2,25,28)(H,26,27)
InChIKeyLWCNAFKJBINERT-UHFFFAOYSA-N
XLogP5.00
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutylamino)-6-[4-(methoxymethyl)phenyl]quinoline-3-carboxamide?
The IUPAC name of 4-(2-ethylbutylamino)-6-[4-(methoxymethyl)phenyl]quinoline-3-carboxamide (CID 155555078) is 4-(2-ethylbutylamino)-6-[4-(methoxymethyl)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 4-(2-ethylbutylamino)-6-[4-(methoxymethyl)phenyl]quinoline-3-carboxamide?
The canonical SMILES for 4-(2-ethylbutylamino)-6-[4-(methoxymethyl)phenyl]quinoline-3-carboxamide is CCC(CC)CNc1c(C(N)=O)cnc2ccc(-c3ccc(COC)cc3)cc12.
What is the InChIKey of 4-(2-ethylbutylamino)-6-[4-(methoxymethyl)phenyl]quinoline-3-carboxamide?
The InChIKey is LWCNAFKJBINERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-4-16(5-2)13-27-23-20-12-19(18-8-6-17(7-9-18)15-29-3)10-11-22(20)26-14-21(23)24(25)28/h6-12,14,16H,4-5,13,15H2,1-3H3,(H2,25,28)(H,26,27).
What are the key properties of 4-(2-ethylbutylamino)-6-[4-(methoxymethyl)phenyl]quinoline-3-carboxamide?
4-(2-ethylbutylamino)-6-[4-(methoxymethyl)phenyl]quinoline-3-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 5.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutylamino)-6-[4-(methoxymethyl)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 155555078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).