methyl 2-[1-[(3-aminoquinoline-2-carbonyl)amino]cyclohexyl]acetate

C19H23N3O3 — CID 174545783

IUPACmethyl 2-[1-[(3-aminoquinoline-2-carbonyl)amino]cyclohexyl]acetate
SMILESCOC(=O)CC1(NC(=O)c2nc3ccccc3cc2N)CCCCC1
InChIInChI=1S/C19H23N3O3/c1-25-16(23)12-19(9-5-2-6-10-19)22-18(24)17-14(20)11-13-7-3-4-8-15(13)21-17/h3-4,7-8,11H,2,5-6,9-10,12,20H2,1H3,(H,22,24)
InChIKeyHRCGAOMCOXJSPB-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.81
Rot. Bonds4

About methyl 2-[1-[(3-aminoquinoline-2-carbonyl)amino]cyclohexyl]acetate

methyl 2-[1-[(3-aminoquinoline-2-carbonyl)amino]cyclohexyl]acetate (PubChem CID 174545783) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 2-[1-[(3-aminoquinoline-2-carbonyl)amino]cyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(3-aminoquinoline-2-carbonyl)amino]cyclohexyl]acetate
PubChem CID174545783
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namemethyl 2-[1-[(3-aminoquinoline-2-carbonyl)amino]cyclohexyl]acetate
SMILESCOC(=O)CC1(NC(=O)c2nc3ccccc3cc2N)CCCCC1
InChIInChI=1S/C19H23N3O3/c1-25-16(23)12-19(9-5-2-6-10-19)22-18(24)17-14(20)11-13-7-3-4-8-15(13)21-17/h3-4,7-8,11H,2,5-6,9-10,12,20H2,1H3,(H,22,24)
InChIKeyHRCGAOMCOXJSPB-UHFFFAOYSA-N
XLogP2.81
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(3-aminoquinoline-2-carbonyl)amino]cyclohexyl]acetate?
The IUPAC name of methyl 2-[1-[(3-aminoquinoline-2-carbonyl)amino]cyclohexyl]acetate (CID 174545783) is methyl 2-[1-[(3-aminoquinoline-2-carbonyl)amino]cyclohexyl]acetate.
What is the SMILES notation for methyl 2-[1-[(3-aminoquinoline-2-carbonyl)amino]cyclohexyl]acetate?
The canonical SMILES for methyl 2-[1-[(3-aminoquinoline-2-carbonyl)amino]cyclohexyl]acetate is COC(=O)CC1(NC(=O)c2nc3ccccc3cc2N)CCCCC1.
What is the InChIKey of methyl 2-[1-[(3-aminoquinoline-2-carbonyl)amino]cyclohexyl]acetate?
The InChIKey is HRCGAOMCOXJSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-25-16(23)12-19(9-5-2-6-10-19)22-18(24)17-14(20)11-13-7-3-4-8-15(13)21-17/h3-4,7-8,11H,2,5-6,9-10,12,20H2,1H3,(H,22,24).
What are the key properties of methyl 2-[1-[(3-aminoquinoline-2-carbonyl)amino]cyclohexyl]acetate?
methyl 2-[1-[(3-aminoquinoline-2-carbonyl)amino]cyclohexyl]acetate has a molecular weight of 341.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(3-aminoquinoline-2-carbonyl)amino]cyclohexyl]acetate is sourced from PubChem (CID 174545783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).