N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-nitropyridin-2-amine

C20H23N5O2 — CID 50866223

IUPACN-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-nitropyridin-2-amine
SMILESCCN1c2ccc(/C=N\Nc3ncccc3[N+](=O)[O-])cc2C(C)=CC1(C)C
InChIInChI=1S/C20H23N5O2/c1-5-24-17-9-8-15(11-16(17)14(2)12-20(24,3)4)13-22-23-19-18(25(26)27)7-6-10-21-19/h6-13H,5H2,1-4H3,(H,21,23)/b22-13-
InChIKeyGTSGVDXHSSGGQS-XKZIYDEJSA-N
MW365.44 g/mol
LogP4.46
Rot. Bonds5

About N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-nitropyridin-2-amine

N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-nitropyridin-2-amine (PubChem CID 50866223) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-nitropyridin-2-amine
PubChem CID50866223
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-nitropyridin-2-amine
SMILESCCN1c2ccc(/C=N\Nc3ncccc3[N+](=O)[O-])cc2C(C)=CC1(C)C
InChIInChI=1S/C20H23N5O2/c1-5-24-17-9-8-15(11-16(17)14(2)12-20(24,3)4)13-22-23-19-18(25(26)27)7-6-10-21-19/h6-13H,5H2,1-4H3,(H,21,23)/b22-13-
InChIKeyGTSGVDXHSSGGQS-XKZIYDEJSA-N
XLogP4.46
TPSA83.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.46
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-nitropyridin-2-amine?
The IUPAC name of N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-nitropyridin-2-amine (CID 50866223) is N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-nitropyridin-2-amine?
The canonical SMILES for N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-nitropyridin-2-amine is CCN1c2ccc(/C=N\Nc3ncccc3[N+](=O)[O-])cc2C(C)=CC1(C)C.
What is the InChIKey of N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-nitropyridin-2-amine?
The InChIKey is GTSGVDXHSSGGQS-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-5-24-17-9-8-15(11-16(17)14(2)12-20(24,3)4)13-22-23-19-18(25(26)27)7-6-10-21-19/h6-13H,5H2,1-4H3,(H,21,23)/b22-13-.
What are the key properties of N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-nitropyridin-2-amine?
N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-nitropyridin-2-amine has a molecular weight of 365.44 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-nitropyridin-2-amine is sourced from PubChem (CID 50866223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).