N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]quinolin-8-amine

C20H15N5O2 — CID 40532923

IUPACN-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]quinolin-8-amine
SMILESO=[N+]([O-])c1ccc(-n2cccc2/C=N\Nc2cccc3cccnc23)cc1
InChIInChI=1S/C20H15N5O2/c26-25(27)17-10-8-16(9-11-17)24-13-3-6-18(24)14-22-23-19-7-1-4-15-5-2-12-21-20(15)19/h1-14,23H/b22-14-
InChIKeySNWYHNARPQFEAN-HMAPJEAMSA-N
MW357.37 g/mol
LogP4.38
Rot. Bonds5

About N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]quinolin-8-amine

N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]quinolin-8-amine (PubChem CID 40532923) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]quinolin-8-amine.

Molecular Properties

Compound NameN-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]quinolin-8-amine
PubChem CID40532923
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC NameN-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]quinolin-8-amine
SMILESO=[N+]([O-])c1ccc(-n2cccc2/C=N\Nc2cccc3cccnc23)cc1
InChIInChI=1S/C20H15N5O2/c26-25(27)17-10-8-16(9-11-17)24-13-3-6-18(24)14-22-23-19-7-1-4-15-5-2-12-21-20(15)19/h1-14,23H/b22-14-
InChIKeySNWYHNARPQFEAN-HMAPJEAMSA-N
XLogP4.38
TPSA85.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'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

2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 5006377
(Z)-1-[1-(4-nitrophenyl)pyrrol-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 5398415
N-(4-nitrophenyl)sulfanylquinolin-8-amine
CID 142610178
N-[(Z)-[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-3-nitropyridin-2-amine
CID 126072265
N-[(Z)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-5-nitropyridin-2-amine
CID 126026118
N-[(E)-[(2E)-2-(quinolin-8-ylhydrazinylidene)ethylidene]amino]quinolin-8-amine
CID 6870658
2-(2-nitrophenyl)-N-[[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]acetamide
CID 4244555
N-butyl-1-[1-(4-nitrophenyl)pyrrol-2-yl]methanimine
CID 5141048
4-chloro-2-nitro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 135763883
3-bromo-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]benzamide
CID 5452566
4-chloro-2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 3097115
3-[2-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid
CID 126081987

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]quinolin-8-amine?
The IUPAC name of N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]quinolin-8-amine (CID 40532923) is N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]quinolin-8-amine.
What is the SMILES notation for N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]quinolin-8-amine?
The canonical SMILES for N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]quinolin-8-amine is O=[N+]([O-])c1ccc(-n2cccc2/C=N\Nc2cccc3cccnc23)cc1.
What is the InChIKey of N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]quinolin-8-amine?
The InChIKey is SNWYHNARPQFEAN-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H15N5O2/c26-25(27)17-10-8-16(9-11-17)24-13-3-6-18(24)14-22-23-19-7-1-4-15-5-2-12-21-20(15)19/h1-14,23H/b22-14-.
What are the key properties of N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]quinolin-8-amine?
N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]quinolin-8-amine has a molecular weight of 357.37 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]quinolin-8-amine is sourced from PubChem (CID 40532923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).