N-(2-methoxyethyl)-4-[(6-pyridin-3-ylquinazolin-2-yl)amino]benzamide

C23H21N5O2 — CID 71584405

IUPACN-(2-methoxyethyl)-4-[(6-pyridin-3-ylquinazolin-2-yl)amino]benzamide
SMILESCOCCNC(=O)c1ccc(Nc2ncc3cc(-c4cccnc4)ccc3n2)cc1
InChIInChI=1S/C23H21N5O2/c1-30-12-11-25-22(29)16-4-7-20(8-5-16)27-23-26-15-19-13-17(6-9-21(19)28-23)18-3-2-10-24-14-18/h2-10,13-15H,11-12H2,1H3,(H,25,29)(H,26,27,28)
InChIKeyMDUKTARDGADIKR-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.81
Rot. Bonds7

About N-(2-methoxyethyl)-4-[(6-pyridin-3-ylquinazolin-2-yl)amino]benzamide

N-(2-methoxyethyl)-4-[(6-pyridin-3-ylquinazolin-2-yl)amino]benzamide (PubChem CID 71584405) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[(6-pyridin-3-ylquinazolin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[(6-pyridin-3-ylquinazolin-2-yl)amino]benzamide
PubChem CID71584405
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-(2-methoxyethyl)-4-[(6-pyridin-3-ylquinazolin-2-yl)amino]benzamide
SMILESCOCCNC(=O)c1ccc(Nc2ncc3cc(-c4cccnc4)ccc3n2)cc1
InChIInChI=1S/C23H21N5O2/c1-30-12-11-25-22(29)16-4-7-20(8-5-16)27-23-26-15-19-13-17(6-9-21(19)28-23)18-3-2-10-24-14-18/h2-10,13-15H,11-12H2,1H3,(H,25,29)(H,26,27,28)
InChIKeyMDUKTARDGADIKR-UHFFFAOYSA-N
XLogP3.81
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 71661259
N-(4-methyl-3-(1-methyl-7-(6-methylpyridin-3-ylamino)-2-oxo-1,2-dihydropyrimido(4,5-d)pyrimidin-3(4H)-yl)phenyl)-3-(trifluoromethyl)benzamide
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Jnk-IN-8
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3-(2-aminoquinazolin-6-yl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
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N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
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Sgi-1027
CID 24858111
(E)-N-(3-((6-(1H-Indol-3-yl)pyrimidin-4-yl)amino)phenyl)-4-(4-(dimethylamino)but-2-enamido)benzamide
CID 134451950
7-Amino-1-methyl-3-[5-[[3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]-3,4-dihydropyrimido[4,5-d]pyrimidine-2(1H)-one
CID 10062694

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[(6-pyridin-3-ylquinazolin-2-yl)amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-[(6-pyridin-3-ylquinazolin-2-yl)amino]benzamide (CID 71584405) is N-(2-methoxyethyl)-4-[(6-pyridin-3-ylquinazolin-2-yl)amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[(6-pyridin-3-ylquinazolin-2-yl)amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[(6-pyridin-3-ylquinazolin-2-yl)amino]benzamide is COCCNC(=O)c1ccc(Nc2ncc3cc(-c4cccnc4)ccc3n2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[(6-pyridin-3-ylquinazolin-2-yl)amino]benzamide?
The InChIKey is MDUKTARDGADIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-30-12-11-25-22(29)16-4-7-20(8-5-16)27-23-26-15-19-13-17(6-9-21(19)28-23)18-3-2-10-24-14-18/h2-10,13-15H,11-12H2,1H3,(H,25,29)(H,26,27,28).
What are the key properties of N-(2-methoxyethyl)-4-[(6-pyridin-3-ylquinazolin-2-yl)amino]benzamide?
N-(2-methoxyethyl)-4-[(6-pyridin-3-ylquinazolin-2-yl)amino]benzamide has a molecular weight of 399.45 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[(6-pyridin-3-ylquinazolin-2-yl)amino]benzamide is sourced from PubChem (CID 71584405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).