N-(2-methoxyethyl)-4-[[6-(6-methoxy-3-pyridinyl)quinazolin-2-yl]amino]benzamide

C24H23N5O3 — CID 71584406

IUPACN-(2-methoxyethyl)-4-[[6-(6-methoxy-3-pyridinyl)quinazolin-2-yl]amino]benzamide
SMILESCOCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccc(OC)nc4)ccc3n2)cc1
InChIInChI=1S/C24H23N5O3/c1-31-12-11-25-23(30)16-3-7-20(8-4-16)28-24-27-15-19-13-17(5-9-21(19)29-24)18-6-10-22(32-2)26-14-18/h3-10,13-15H,11-12H2,1-2H3,(H,25,30)(H,27,28,29)
InChIKeyPKNHHUXYJAVWAN-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.82
Rot. Bonds8

About N-(2-methoxyethyl)-4-[[6-(6-methoxy-3-pyridinyl)quinazolin-2-yl]amino]benzamide

N-(2-methoxyethyl)-4-[[6-(6-methoxy-3-pyridinyl)quinazolin-2-yl]amino]benzamide (PubChem CID 71584406) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[[6-(6-methoxy-3-pyridinyl)quinazolin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[[6-(6-methoxy-3-pyridinyl)quinazolin-2-yl]amino]benzamide
PubChem CID71584406
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC NameN-(2-methoxyethyl)-4-[[6-(6-methoxy-3-pyridinyl)quinazolin-2-yl]amino]benzamide
SMILESCOCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccc(OC)nc4)ccc3n2)cc1
InChIInChI=1S/C24H23N5O3/c1-31-12-11-25-23(30)16-3-7-20(8-4-16)28-24-27-15-19-13-17(5-9-21(19)29-24)18-6-10-22(32-2)26-14-18/h3-10,13-15H,11-12H2,1-2H3,(H,25,30)(H,27,28,29)
InChIKeyPKNHHUXYJAVWAN-UHFFFAOYSA-N
XLogP3.82
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[[6-(6-methoxy-3-pyridinyl)quinazolin-2-yl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-[[6-(6-methoxy-3-pyridinyl)quinazolin-2-yl]amino]benzamide (CID 71584406) is N-(2-methoxyethyl)-4-[[6-(6-methoxy-3-pyridinyl)quinazolin-2-yl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[[6-(6-methoxy-3-pyridinyl)quinazolin-2-yl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[[6-(6-methoxy-3-pyridinyl)quinazolin-2-yl]amino]benzamide is COCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccc(OC)nc4)ccc3n2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[[6-(6-methoxy-3-pyridinyl)quinazolin-2-yl]amino]benzamide?
The InChIKey is PKNHHUXYJAVWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-31-12-11-25-23(30)16-3-7-20(8-4-16)28-24-27-15-19-13-17(5-9-21(19)29-24)18-6-10-22(32-2)26-14-18/h3-10,13-15H,11-12H2,1-2H3,(H,25,30)(H,27,28,29).
What are the key properties of N-(2-methoxyethyl)-4-[[6-(6-methoxy-3-pyridinyl)quinazolin-2-yl]amino]benzamide?
N-(2-methoxyethyl)-4-[[6-(6-methoxy-3-pyridinyl)quinazolin-2-yl]amino]benzamide has a molecular weight of 429.48 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[[6-(6-methoxy-3-pyridinyl)quinazolin-2-yl]amino]benzamide is sourced from PubChem (CID 71584406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).