5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)quinolin-6-amine

C16H19N3O2 — CID 79360124

IUPAC5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)quinolin-6-amine
SMILESCC1(C)C(Nc2ccc3ncccc3c2[N+](=O)[O-])C1(C)C
InChIInChI=1S/C16H19N3O2/c1-15(2)14(16(15,3)4)18-12-8-7-11-10(6-5-9-17-11)13(12)19(20)21/h5-9,14,18H,1-4H3
InChIKeyOVPHXZKRQWWKQQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.99
Rot. Bonds3

About 5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)quinolin-6-amine

5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)quinolin-6-amine (PubChem CID 79360124) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)quinolin-6-amine.

Molecular Properties

Compound Name5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)quinolin-6-amine
PubChem CID79360124
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)quinolin-6-amine
SMILESCC1(C)C(Nc2ccc3ncccc3c2[N+](=O)[O-])C1(C)C
InChIInChI=1S/C16H19N3O2/c1-15(2)14(16(15,3)4)18-12-8-7-11-10(6-5-9-17-11)13(12)19(20)21/h5-9,14,18H,1-4H3
InChIKeyOVPHXZKRQWWKQQ-UHFFFAOYSA-N
XLogP3.99
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methylcyclohexyl)-5-nitroquinolin-6-amine
CID 43803919
N-(1-methylcyclopentyl)-5-nitroquinolin-6-amine
CID 61366971
[1-[(5-nitroquinolin-6-yl)amino]cyclopropyl]methanol
CID 115868727
2-[(5-nitroquinolin-6-yl)amino]ethanol
CID 43809978
[1-[(5-nitroquinolin-6-yl)amino]cyclopentyl]methanol
CID 62519209
N-[(3S)-1-methylsulfonylpiperidin-3-yl]-5-nitroquinolin-6-amine
CID 52505239
N-(2-methoxy-2-methylpropyl)-5-nitroquinolin-6-amine
CID 115658506
5,6-dinitroquinoline
CID 119087514
N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitroquinolin-6-amine
CID 56584812
2-ethyl-2-[(5-nitroquinolin-6-yl)amino]butan-1-ol
CID 62519561
N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine
CID 63536615
N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine
CID 43809964

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)quinolin-6-amine?
The IUPAC name of 5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)quinolin-6-amine (CID 79360124) is 5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)quinolin-6-amine.
What is the SMILES notation for 5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)quinolin-6-amine?
The canonical SMILES for 5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)quinolin-6-amine is CC1(C)C(Nc2ccc3ncccc3c2[N+](=O)[O-])C1(C)C.
What is the InChIKey of 5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)quinolin-6-amine?
The InChIKey is OVPHXZKRQWWKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-15(2)14(16(15,3)4)18-12-8-7-11-10(6-5-9-17-11)13(12)19(20)21/h5-9,14,18H,1-4H3.
What are the key properties of 5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)quinolin-6-amine?
5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)quinolin-6-amine has a molecular weight of 285.35 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)quinolin-6-amine is sourced from PubChem (CID 79360124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).