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

C24H23N5O2 — CID 24986335

IUPACN-(2-methoxyethyl)-4-[[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]amino]benzamide
SMILESCOCCNC(=O)c1ccc(Nc2ncc3cc(-c4cnccc4C)ccc3n2)cc1
InChIInChI=1S/C24H23N5O2/c1-16-9-10-25-15-21(16)18-5-8-22-19(13-18)14-27-24(29-22)28-20-6-3-17(4-7-20)23(30)26-11-12-31-2/h3-10,13-15H,11-12H2,1-2H3,(H,26,30)(H,27,28,29)
InChIKeySMWAYHCFNAODNO-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.12
Rot. Bonds7

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

N-(2-methoxyethyl)-4-[[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]amino]benzamide (PubChem CID 24986335) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]amino]benzamide
PubChem CID24986335
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-(2-methoxyethyl)-4-[[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]amino]benzamide
SMILESCOCCNC(=O)c1ccc(Nc2ncc3cc(-c4cnccc4C)ccc3n2)cc1
InChIInChI=1S/C24H23N5O2/c1-16-9-10-25-15-21(16)18-5-8-22-19(13-18)14-27-24(29-22)28-20-6-3-17(4-7-20)23(30)26-11-12-31-2/h3-10,13-15H,11-12H2,1-2H3,(H,26,30)(H,27,28,29)
InChIKeySMWAYHCFNAODNO-UHFFFAOYSA-N
XLogP4.12
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.12
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-[[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]amino]benzamide (CID 24986335) is N-(2-methoxyethyl)-4-[[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]amino]benzamide is COCCNC(=O)c1ccc(Nc2ncc3cc(-c4cnccc4C)ccc3n2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]amino]benzamide?
The InChIKey is SMWAYHCFNAODNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-16-9-10-25-15-21(16)18-5-8-22-19(13-18)14-27-24(29-22)28-20-6-3-17(4-7-20)23(30)26-11-12-31-2/h3-10,13-15H,11-12H2,1-2H3,(H,26,30)(H,27,28,29).
What are the key properties of N-(2-methoxyethyl)-4-[[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]amino]benzamide?
N-(2-methoxyethyl)-4-[[6-(4-methyl-3-pyridinyl)quinazolin-2-yl]amino]benzamide has a molecular weight of 413.48 g/mol, XLogP of 4.12, 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-(4-methyl-3-pyridinyl)quinazolin-2-yl]amino]benzamide is sourced from PubChem (CID 24986335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).