4-amino-5-[2-(cyclohexanecarbonylamino)-2-methylpropoxy]-6-ethyl-2-methylquinoline-3-carboxylic acid

C24H33N3O4 — CID 67435181

IUPAC4-amino-5-[2-(cyclohexanecarbonylamino)-2-methylpropoxy]-6-ethyl-2-methylquinoline-3-carboxylic acid
SMILESCCc1ccc2nc(C)c(C(=O)O)c(N)c2c1OCC(C)(C)NC(=O)C1CCCCC1
InChIInChI=1S/C24H33N3O4/c1-5-15-11-12-17-19(20(25)18(23(29)30)14(2)26-17)21(15)31-13-24(3,4)27-22(28)16-9-7-6-8-10-16/h11-12,16H,5-10,13H2,1-4H3,(H2,25,26)(H,27,28)(H,29,30)
InChIKeyBQTDYVBDYOTQHW-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.24
Rot. Bonds7

About 4-amino-5-[2-(cyclohexanecarbonylamino)-2-methylpropoxy]-6-ethyl-2-methylquinoline-3-carboxylic acid

4-amino-5-[2-(cyclohexanecarbonylamino)-2-methylpropoxy]-6-ethyl-2-methylquinoline-3-carboxylic acid (PubChem CID 67435181) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is 4-amino-5-[2-(cyclohexanecarbonylamino)-2-methylpropoxy]-6-ethyl-2-methylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-[2-(cyclohexanecarbonylamino)-2-methylpropoxy]-6-ethyl-2-methylquinoline-3-carboxylic acid
PubChem CID67435181
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name4-amino-5-[2-(cyclohexanecarbonylamino)-2-methylpropoxy]-6-ethyl-2-methylquinoline-3-carboxylic acid
SMILESCCc1ccc2nc(C)c(C(=O)O)c(N)c2c1OCC(C)(C)NC(=O)C1CCCCC1
InChIInChI=1S/C24H33N3O4/c1-5-15-11-12-17-19(20(25)18(23(29)30)14(2)26-17)21(15)31-13-24(3,4)27-22(28)16-9-7-6-8-10-16/h11-12,16H,5-10,13H2,1-4H3,(H2,25,26)(H,27,28)(H,29,30)
InChIKeyBQTDYVBDYOTQHW-UHFFFAOYSA-N
XLogP4.24
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-(cyclohexanecarbonylamino)-2-methylpropoxy]-6-ethyl-2-methylquinoline-3-carboxylic acid?
The IUPAC name of 4-amino-5-[2-(cyclohexanecarbonylamino)-2-methylpropoxy]-6-ethyl-2-methylquinoline-3-carboxylic acid (CID 67435181) is 4-amino-5-[2-(cyclohexanecarbonylamino)-2-methylpropoxy]-6-ethyl-2-methylquinoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-[2-(cyclohexanecarbonylamino)-2-methylpropoxy]-6-ethyl-2-methylquinoline-3-carboxylic acid?
The canonical SMILES for 4-amino-5-[2-(cyclohexanecarbonylamino)-2-methylpropoxy]-6-ethyl-2-methylquinoline-3-carboxylic acid is CCc1ccc2nc(C)c(C(=O)O)c(N)c2c1OCC(C)(C)NC(=O)C1CCCCC1.
What is the InChIKey of 4-amino-5-[2-(cyclohexanecarbonylamino)-2-methylpropoxy]-6-ethyl-2-methylquinoline-3-carboxylic acid?
The InChIKey is BQTDYVBDYOTQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-5-15-11-12-17-19(20(25)18(23(29)30)14(2)26-17)21(15)31-13-24(3,4)27-22(28)16-9-7-6-8-10-16/h11-12,16H,5-10,13H2,1-4H3,(H2,25,26)(H,27,28)(H,29,30).
What are the key properties of 4-amino-5-[2-(cyclohexanecarbonylamino)-2-methylpropoxy]-6-ethyl-2-methylquinoline-3-carboxylic acid?
4-amino-5-[2-(cyclohexanecarbonylamino)-2-methylpropoxy]-6-ethyl-2-methylquinoline-3-carboxylic acid has a molecular weight of 427.55 g/mol, XLogP of 4.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-(cyclohexanecarbonylamino)-2-methylpropoxy]-6-ethyl-2-methylquinoline-3-carboxylic acid is sourced from PubChem (CID 67435181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).