4-amino-5-[4-[(2-aminoacetyl)amino]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid

C19H24N4O4 — CID 121328194

IUPAC4-amino-5-[4-[(2-aminoacetyl)amino]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid
SMILESCc1nc2cccc(OC3CCC(NC(=O)CN)CC3)c2c(N)c1C(=O)O
InChIInChI=1S/C19H24N4O4/c1-10-16(19(25)26)18(21)17-13(22-10)3-2-4-14(17)27-12-7-5-11(6-8-12)23-15(24)9-20/h2-4,11-12H,5-9,20H2,1H3,(H2,21,22)(H,23,24)(H,25,26)
InChIKeyRWFMUBNPBWJERT-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.59
Rot. Bonds5

About 4-amino-5-[4-[(2-aminoacetyl)amino]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid

4-amino-5-[4-[(2-aminoacetyl)amino]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid (PubChem CID 121328194) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-amino-5-[4-[(2-aminoacetyl)amino]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-[4-[(2-aminoacetyl)amino]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid
PubChem CID121328194
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name4-amino-5-[4-[(2-aminoacetyl)amino]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid
SMILESCc1nc2cccc(OC3CCC(NC(=O)CN)CC3)c2c(N)c1C(=O)O
InChIInChI=1S/C19H24N4O4/c1-10-16(19(25)26)18(21)17-13(22-10)3-2-4-14(17)27-12-7-5-11(6-8-12)23-15(24)9-20/h2-4,11-12H,5-9,20H2,1H3,(H2,21,22)(H,23,24)(H,25,26)
InChIKeyRWFMUBNPBWJERT-UHFFFAOYSA-N
XLogP1.59
TPSA140.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[4-[(2-aminoacetyl)amino]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid?
The IUPAC name of 4-amino-5-[4-[(2-aminoacetyl)amino]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid (CID 121328194) is 4-amino-5-[4-[(2-aminoacetyl)amino]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-[4-[(2-aminoacetyl)amino]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid?
The canonical SMILES for 4-amino-5-[4-[(2-aminoacetyl)amino]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid is Cc1nc2cccc(OC3CCC(NC(=O)CN)CC3)c2c(N)c1C(=O)O.
What is the InChIKey of 4-amino-5-[4-[(2-aminoacetyl)amino]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid?
The InChIKey is RWFMUBNPBWJERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-10-16(19(25)26)18(21)17-13(22-10)3-2-4-14(17)27-12-7-5-11(6-8-12)23-15(24)9-20/h2-4,11-12H,5-9,20H2,1H3,(H2,21,22)(H,23,24)(H,25,26).
What are the key properties of 4-amino-5-[4-[(2-aminoacetyl)amino]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid?
4-amino-5-[4-[(2-aminoacetyl)amino]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid has a molecular weight of 372.43 g/mol, XLogP of 1.59, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[4-[(2-aminoacetyl)amino]cyclohexyl]oxy-2-methylquinoline-3-carboxylic acid is sourced from PubChem (CID 121328194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).