(2R)-1-N-methyl-2-N-(5-nitroquinolin-6-yl)-1-N-phenylpropane-1,2-diamine

C19H20N4O2 — CID 97019806

IUPAC(2R)-1-N-methyl-2-N-(5-nitroquinolin-6-yl)-1-N-phenylpropane-1,2-diamine
SMILESC[C@H](CN(C)c1ccccc1)Nc1ccc2ncccc2c1[N+](=O)[O-]
InChIInChI=1S/C19H20N4O2/c1-14(13-22(2)15-7-4-3-5-8-15)21-18-11-10-17-16(9-6-12-20-17)19(18)23(24)25/h3-12,14,21H,13H2,1-2H3/t14-/m1/s1
InChIKeyBUCWWGDLHJEVSX-CQSZACIVSA-N
MW336.40 g/mol
LogP4.08
Rot. Bonds6

About (2R)-1-N-methyl-2-N-(5-nitroquinolin-6-yl)-1-N-phenylpropane-1,2-diamine

(2R)-1-N-methyl-2-N-(5-nitroquinolin-6-yl)-1-N-phenylpropane-1,2-diamine (PubChem CID 97019806) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (2R)-1-N-methyl-2-N-(5-nitroquinolin-6-yl)-1-N-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-methyl-2-N-(5-nitroquinolin-6-yl)-1-N-phenylpropane-1,2-diamine
PubChem CID97019806
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(2R)-1-N-methyl-2-N-(5-nitroquinolin-6-yl)-1-N-phenylpropane-1,2-diamine
SMILESC[C@H](CN(C)c1ccccc1)Nc1ccc2ncccc2c1[N+](=O)[O-]
InChIInChI=1S/C19H20N4O2/c1-14(13-22(2)15-7-4-3-5-8-15)21-18-11-10-17-16(9-6-12-20-17)19(18)23(24)25/h3-12,14,21H,13H2,1-2H3/t14-/m1/s1
InChIKeyBUCWWGDLHJEVSX-CQSZACIVSA-N
XLogP4.08
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

5-nitro-N-(4,4,4-trifluorobutan-2-yl)quinolin-6-amine
CID 104854563
N-(3-methylsulfanylbutyl)-5-nitroquinolin-6-amine
CID 115622183
5-nitro-N-(2-propan-2-yloxyethyl)quinolin-6-amine
CID 104577066
ethyl 2-[(5-nitroquinolin-6-yl)amino]propanoate
CID 61499171
N'-(5-nitroquinolin-6-yl)-N-phenylpropane-1,3-diamine
CID 86938939
N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine
CID 43809964
2-[(5-nitroquinolin-6-yl)amino]ethanol
CID 43809978
2-[methyl-(5-nitroquinolin-6-yl)amino]acetic acid
CID 43809826
4-[methyl-(5-nitroquinolin-6-yl)amino]butan-2-ol
CID 115658317
5-nitro-N-(2-pyridin-2-ylethyl)quinolin-6-amine
CID 51117035
N-(2-ethoxypropyl)-5-nitroquinolin-6-amine
CID 115658194
2,3-dimethyl-2-N-(5-nitroquinolin-6-yl)butane-1,2-diamine
CID 115310824

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-methyl-2-N-(5-nitroquinolin-6-yl)-1-N-phenylpropane-1,2-diamine?
The IUPAC name of (2R)-1-N-methyl-2-N-(5-nitroquinolin-6-yl)-1-N-phenylpropane-1,2-diamine (CID 97019806) is (2R)-1-N-methyl-2-N-(5-nitroquinolin-6-yl)-1-N-phenylpropane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-methyl-2-N-(5-nitroquinolin-6-yl)-1-N-phenylpropane-1,2-diamine?
The canonical SMILES for (2R)-1-N-methyl-2-N-(5-nitroquinolin-6-yl)-1-N-phenylpropane-1,2-diamine is C[C@H](CN(C)c1ccccc1)Nc1ccc2ncccc2c1[N+](=O)[O-].
What is the InChIKey of (2R)-1-N-methyl-2-N-(5-nitroquinolin-6-yl)-1-N-phenylpropane-1,2-diamine?
The InChIKey is BUCWWGDLHJEVSX-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14(13-22(2)15-7-4-3-5-8-15)21-18-11-10-17-16(9-6-12-20-17)19(18)23(24)25/h3-12,14,21H,13H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-1-N-methyl-2-N-(5-nitroquinolin-6-yl)-1-N-phenylpropane-1,2-diamine?
(2R)-1-N-methyl-2-N-(5-nitroquinolin-6-yl)-1-N-phenylpropane-1,2-diamine has a molecular weight of 336.40 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-methyl-2-N-(5-nitroquinolin-6-yl)-1-N-phenylpropane-1,2-diamine is sourced from PubChem (CID 97019806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).