(2R)-2,3-diamino-1-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]propan-1-one

C17H23N5O2 — CID 71515448

IUPAC(2R)-2,3-diamino-1-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]propan-1-one
SMILESNC[C@@H](N)C(=O)N1CCN(Cc2ccc(O)c3ncccc23)CC1
InChIInChI=1S/C17H23N5O2/c18-10-14(19)17(24)22-8-6-21(7-9-22)11-12-3-4-15(23)16-13(12)2-1-5-20-16/h1-5,14,23H,6-11,18-19H2/t14-/m1/s1
InChIKeyKOONCSUUNZBSLL-CQSZACIVSA-N
MW329.40 g/mol
LogP-0.13
Rot. Bonds4

About (2R)-2,3-diamino-1-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]propan-1-one

(2R)-2,3-diamino-1-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 71515448) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R)-2,3-diamino-1-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2,3-diamino-1-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]propan-1-one
PubChem CID71515448
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(2R)-2,3-diamino-1-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]propan-1-one
SMILESNC[C@@H](N)C(=O)N1CCN(Cc2ccc(O)c3ncccc23)CC1
InChIInChI=1S/C17H23N5O2/c18-10-14(19)17(24)22-8-6-21(7-9-22)11-12-3-4-15(23)16-13(12)2-1-5-20-16/h1-5,14,23H,6-11,18-19H2/t14-/m1/s1
InChIKeyKOONCSUUNZBSLL-CQSZACIVSA-N
XLogP-0.13
TPSA108.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2,3-diamino-1-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[(8-hydroxyquinolin-5-yl)methyl]piperazine-1-carboxylate;bis(2,2,2-trifluoroacetic acid)
CID 46742371
5-[(4-cyclopentylpiperazin-1-yl)methyl]quinolin-8-ol
CID 171541808
methanol;5-[(4-methyl-1,4-diazepan-1-yl)methyl]quinolin-8-ol
CID 142849611
5-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinolin-8-ol
CID 171541715
2-amino-3-(8-hydroxyquinolin-5-yl)propanoic acid;dihydrochloride
CID 154727412
5-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 4269194
ethyl 4-[[7-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-8-hydroxyquinolin-5-yl]methyl]piperazine-1-carboxylate
CID 3471245
N-(4-fluorophenyl)-2-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide
CID 171716551
ethyl (3S)-1-[(8-hydroxyquinolin-5-yl)methyl]piperidine-3-carboxylate
CID 698137
ethyl 4-[(8-hydroxyquinolin-7-yl)methyl]piperazine-1-carboxylate
CID 3464193
7-[[4-[(1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol
CID 176719632
(2R)-2-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
CID 119834679

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-diamino-1-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2,3-diamino-1-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]propan-1-one (CID 71515448) is (2R)-2,3-diamino-1-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2,3-diamino-1-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2,3-diamino-1-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]propan-1-one is NC[C@@H](N)C(=O)N1CCN(Cc2ccc(O)c3ncccc23)CC1.
What is the InChIKey of (2R)-2,3-diamino-1-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is KOONCSUUNZBSLL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5O2/c18-10-14(19)17(24)22-8-6-21(7-9-22)11-12-3-4-15(23)16-13(12)2-1-5-20-16/h1-5,14,23H,6-11,18-19H2/t14-/m1/s1.
What are the key properties of (2R)-2,3-diamino-1-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]propan-1-one?
(2R)-2,3-diamino-1-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 329.40 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-diamino-1-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 71515448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).