N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-5-nitropyridin-2-amine

C20H25N5O3 — CID 50859785

IUPACN-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-5-nitropyridin-2-amine
SMILESCOc1cc2c(cc1/C=N\Nc1ccc([N+](=O)[O-])cn1)C(C)CC(C)(C)N2C
InChIInChI=1S/C20H25N5O3/c1-13-10-20(2,3)24(4)17-9-18(28-5)14(8-16(13)17)11-22-23-19-7-6-15(12-21-19)25(26)27/h6-9,11-13H,10H2,1-5H3,(H,21,23)/b22-11-
InChIKeyRHPNOJDKMZOGBF-JJFYIABZSA-N
MW383.45 g/mol
LogP4.17
Rot. Bonds5

About N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-5-nitropyridin-2-amine

N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-5-nitropyridin-2-amine (PubChem CID 50859785) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-5-nitropyridin-2-amine
PubChem CID50859785
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-5-nitropyridin-2-amine
SMILESCOc1cc2c(cc1/C=N\Nc1ccc([N+](=O)[O-])cn1)C(C)CC(C)(C)N2C
InChIInChI=1S/C20H25N5O3/c1-13-10-20(2,3)24(4)17-9-18(28-5)14(8-16(13)17)11-22-23-19-7-6-15(12-21-19)25(26)27/h6-9,11-13H,10H2,1-5H3,(H,21,23)/b22-11-
InChIKeyRHPNOJDKMZOGBF-JJFYIABZSA-N
XLogP4.17
TPSA92.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

5-nitro-N-[(Z)-[(4S)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methylideneamino]pyridin-2-amine
CID 99885793
N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]aniline
CID 50859908
N-[(E)-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-nitroaniline
CID 133203433
3,4-dichloro-N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50859836
N-[4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide
CID 50860072
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-5-nitropyridin-2-amine
CID 3717617
2-(4-methoxyphenyl)sulfanyl-N-[(E)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide
CID 50859713
2,6-dimethoxy-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135473372
N-[(E)-(2,5-dimethylfuran-3-yl)methylideneamino]-5-nitropyridin-2-amine
CID 21374211
N-(3-fluorophenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50859775
N-(4-iodo-3-methylphenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50859725
1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine
CID 50859939

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-5-nitropyridin-2-amine?
The IUPAC name of N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-5-nitropyridin-2-amine (CID 50859785) is N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-5-nitropyridin-2-amine?
The canonical SMILES for N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-5-nitropyridin-2-amine is COc1cc2c(cc1/C=N\Nc1ccc([N+](=O)[O-])cn1)C(C)CC(C)(C)N2C.
What is the InChIKey of N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-5-nitropyridin-2-amine?
The InChIKey is RHPNOJDKMZOGBF-JJFYIABZSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-13-10-20(2,3)24(4)17-9-18(28-5)14(8-16(13)17)11-22-23-19-7-6-15(12-21-19)25(26)27/h6-9,11-13H,10H2,1-5H3,(H,21,23)/b22-11-.
What are the key properties of N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-5-nitropyridin-2-amine?
N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-5-nitropyridin-2-amine has a molecular weight of 383.45 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-5-nitropyridin-2-amine is sourced from PubChem (CID 50859785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).