3-nitro-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]pyridin-2-amine

C22H27N5O2 — CID 50868447

IUPAC3-nitro-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]pyridin-2-amine
SMILESCCCN1c2cc(C)c(/C=N\Nc3ncccc3[N+](=O)[O-])cc2C(C)=CC1(C)C
InChIInChI=1S/C22H27N5O2/c1-6-10-26-20-11-15(2)17(12-18(20)16(3)13-22(26,4)5)14-24-25-21-19(27(28)29)8-7-9-23-21/h7-9,11-14H,6,10H2,1-5H3,(H,23,25)/b24-14-
InChIKeyNXUZBMVYXMZQLW-OYKKKHCWSA-N
MW393.49 g/mol
LogP5.16
Rot. Bonds6

About 3-nitro-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]pyridin-2-amine

3-nitro-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]pyridin-2-amine (PubChem CID 50868447) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-nitro-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name3-nitro-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]pyridin-2-amine
PubChem CID50868447
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name3-nitro-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]pyridin-2-amine
SMILESCCCN1c2cc(C)c(/C=N\Nc3ncccc3[N+](=O)[O-])cc2C(C)=CC1(C)C
InChIInChI=1S/C22H27N5O2/c1-6-10-26-20-11-15(2)17(12-18(20)16(3)13-22(26,4)5)14-24-25-21-19(27(28)29)8-7-9-23-21/h7-9,11-14H,6,10H2,1-5H3,(H,23,25)/b24-14-
InChIKeyNXUZBMVYXMZQLW-OYKKKHCWSA-N
XLogP5.16
TPSA83.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-nitropyridin-2-amine
CID 50866223
N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868677
N-[(Z)-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-2,4-dinitroaniline
CID 50869773
N-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine
CID 50868475
2,2,4,7-tetramethyl-1-propylquinoline-6-carbaldehyde
CID 50868619
N-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline
CID 50868952
N-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50869014
N-(2-methoxyphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868462
2,4-dinitro-N-[(E)-(2,2,4,7-tetramethyl-1-propan-2-ylquinolin-6-yl)methylideneamino]aniline
CID 133170133
N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]aniline
CID 50868938
3-hydroxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50868530
N-[(Z)-(1,2,2,4,7-pentamethylquinolin-6-yl)methylideneamino]aniline
CID 50864633

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]pyridin-2-amine?
The IUPAC name of 3-nitro-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]pyridin-2-amine (CID 50868447) is 3-nitro-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for 3-nitro-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]pyridin-2-amine?
The canonical SMILES for 3-nitro-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]pyridin-2-amine is CCCN1c2cc(C)c(/C=N\Nc3ncccc3[N+](=O)[O-])cc2C(C)=CC1(C)C.
What is the InChIKey of 3-nitro-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]pyridin-2-amine?
The InChIKey is NXUZBMVYXMZQLW-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-6-10-26-20-11-15(2)17(12-18(20)16(3)13-22(26,4)5)14-24-25-21-19(27(28)29)8-7-9-23-21/h7-9,11-14H,6,10H2,1-5H3,(H,23,25)/b24-14-.
What are the key properties of 3-nitro-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]pyridin-2-amine?
3-nitro-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]pyridin-2-amine has a molecular weight of 393.49 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 50868447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).