N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6-nitroquinolin-2-amine

C18H25N5O2 — CID 97221261

IUPACN-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6-nitroquinolin-2-amine
SMILESCCN1CCN([C@H](C)CNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1
InChIInChI=1S/C18H25N5O2/c1-3-21-8-10-22(11-9-21)14(2)13-19-18-7-4-15-12-16(23(24)25)5-6-17(15)20-18/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeySTSBHYDPFIGNBK-CQSZACIVSA-N
MW343.43 g/mol
LogP2.58
Rot. Bonds6

About N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6-nitroquinolin-2-amine

N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6-nitroquinolin-2-amine (PubChem CID 97221261) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6-nitroquinolin-2-amine.

Molecular Properties

Compound NameN-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6-nitroquinolin-2-amine
PubChem CID97221261
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6-nitroquinolin-2-amine
SMILESCCN1CCN([C@H](C)CNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1
InChIInChI=1S/C18H25N5O2/c1-3-21-8-10-22(11-9-21)14(2)13-19-18-7-4-15-12-16(23(24)25)5-6-17(15)20-18/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeySTSBHYDPFIGNBK-CQSZACIVSA-N
XLogP2.58
TPSA74.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine
CID 115303024
6-nitro-N-propylquinolin-2-amine
CID 43450859
N-(3-methylbutyl)-6-nitroquinolin-2-amine
CID 43450897
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(6-nitroquinolin-2-yl)amino]propan-2-ol
CID 133351321
6-nitro-N-(1-piperidin-1-ylpropan-2-yl)quinolin-2-amine
CID 133273649
6-nitro-N-prop-2-ynylquinolin-2-amine
CID 55040690
2-[[(2S)-2-(4-ethylpiperazin-1-yl)propyl]amino]quinoline-4-carbonitrile
CID 96528544
N-(2-ethylsulfinylethyl)-6-nitroquinolin-2-amine
CID 115631435
N-(3-methylpentan-2-yl)-6-nitroquinolin-2-amine
CID 61463580
6-nitro-N-pentan-2-ylquinolin-2-amine
CID 43450883
N-(3-ethylpentan-2-yl)-6-nitroquinolin-2-amine
CID 63839044
6-nitro-N-[2-(4-phenylpiperazin-1-yl)ethyl]quinolin-2-amine
CID 11619309

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6-nitroquinolin-2-amine?
The IUPAC name of N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6-nitroquinolin-2-amine (CID 97221261) is N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6-nitroquinolin-2-amine.
What is the SMILES notation for N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6-nitroquinolin-2-amine?
The canonical SMILES for N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6-nitroquinolin-2-amine is CCN1CCN([C@H](C)CNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1.
What is the InChIKey of N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6-nitroquinolin-2-amine?
The InChIKey is STSBHYDPFIGNBK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-21-8-10-22(11-9-21)14(2)13-19-18-7-4-15-12-16(23(24)25)5-6-17(15)20-18/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,19,20)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6-nitroquinolin-2-amine?
N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6-nitroquinolin-2-amine has a molecular weight of 343.43 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6-nitroquinolin-2-amine is sourced from PubChem (CID 97221261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).