N-[(E)-[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide

C23H20N4O2 — CID 126020817

IUPACN-[(E)-[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
SMILESCc1cccc(-n2cccc2/C=N/NC(=O)COc2cccc3cccnc23)c1
InChIInChI=1S/C23H20N4O2/c1-17-6-2-9-19(14-17)27-13-5-10-20(27)15-25-26-22(28)16-29-21-11-3-7-18-8-4-12-24-23(18)21/h2-15H,16H2,1H3,(H,26,28)/b25-15+
InChIKeyHDIOCVJKNGMMMC-MFKUBSTISA-N
MW384.44 g/mol
LogP3.86
Rot. Bonds6

About N-[(E)-[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide

N-[(E)-[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide (PubChem CID 126020817) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[(E)-[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide.

Molecular Properties

Compound NameN-[(E)-[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
PubChem CID126020817
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-[(E)-[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
SMILESCc1cccc(-n2cccc2/C=N/NC(=O)COc2cccc3cccnc23)c1
InChIInChI=1S/C23H20N4O2/c1-17-6-2-9-19(14-17)27-13-5-10-20(27)15-25-26-22(28)16-29-21-11-3-7-18-8-4-12-24-23(18)21/h2-15H,16H2,1H3,(H,26,28)/b25-15+
InChIKeyHDIOCVJKNGMMMC-MFKUBSTISA-N
XLogP3.86
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-yloxy-N-[(1-phenylpyrrol-2-yl)methylideneamino]acetamide
CID 3763934
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 6898634
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 136817914
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 135627845
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 137063536
N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126028828
N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 50855494
N-[(E)-[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 126015338
2-(3-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 947703
N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126023468
2-[2-iodo-4-[(E)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126023421
N-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 5178741

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide?
The IUPAC name of N-[(E)-[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide (CID 126020817) is N-[(E)-[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide.
What is the SMILES notation for N-[(E)-[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide?
The canonical SMILES for N-[(E)-[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide is Cc1cccc(-n2cccc2/C=N/NC(=O)COc2cccc3cccnc23)c1.
What is the InChIKey of N-[(E)-[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide?
The InChIKey is HDIOCVJKNGMMMC-MFKUBSTISA-N. The full InChI is InChI=1S/C23H20N4O2/c1-17-6-2-9-19(14-17)27-13-5-10-20(27)15-25-26-22(28)16-29-21-11-3-7-18-8-4-12-24-23(18)21/h2-15H,16H2,1H3,(H,26,28)/b25-15+.
What are the key properties of N-[(E)-[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide?
N-[(E)-[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide has a molecular weight of 384.44 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide is sourced from PubChem (CID 126020817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).