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

C24H23N5O2 — CID 71584271

IUPACN-(2-methoxyethyl)-4-[[6-(2-methyl-4-pyridinyl)quinazolin-2-yl]amino]benzamide
SMILESCOCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccnc(C)c4)ccc3n2)cc1
InChIInChI=1S/C24H23N5O2/c1-16-13-19(9-10-25-16)18-5-8-22-20(14-18)15-27-24(29-22)28-21-6-3-17(4-7-21)23(30)26-11-12-31-2/h3-10,13-15H,11-12H2,1-2H3,(H,26,30)(H,27,28,29)
InChIKeyKFLXEKIKIYSSNO-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.12
Rot. Bonds7

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

N-(2-methoxyethyl)-4-[[6-(2-methyl-4-pyridinyl)quinazolin-2-yl]amino]benzamide (PubChem CID 71584271) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[[6-(2-methyl-4-pyridinyl)quinazolin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[[6-(2-methyl-4-pyridinyl)quinazolin-2-yl]amino]benzamide
PubChem CID71584271
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-(2-methoxyethyl)-4-[[6-(2-methyl-4-pyridinyl)quinazolin-2-yl]amino]benzamide
SMILESCOCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccnc(C)c4)ccc3n2)cc1
InChIInChI=1S/C24H23N5O2/c1-16-13-19(9-10-25-16)18-5-8-22-20(14-18)15-27-24(29-22)28-21-6-3-17(4-7-21)23(30)26-11-12-31-2/h3-10,13-15H,11-12H2,1-2H3,(H,26,30)(H,27,28,29)
InChIKeyKFLXEKIKIYSSNO-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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Related Compounds

4-methoxy-N-[4-(2-methyl-4-pyridinyl)phenyl]benzamide
CID 42640422
4-[[4-(2-chloroanilino)pyrimidin-2-yl]amino]-N-(2-methoxyethyl)benzamide;hydrochloride
CID 71499990
2-(4-bromo-3-methylanilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide
CID 109251455
N-[1-iodo-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]acetamide
CID 69172020
2-(4-bromoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299902
N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide
CID 11080574
2-[4-(diethylamino)anilino]-N-(2-methoxyethyl)pyrimidine-5-carboxamide
CID 109251441
ethyl 4-[[4-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109166844
N-(2-methoxyethyl)-4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59186391
[2-[4-(2-methoxyethylcarbamoyl)phenyl]-4-pyridinyl]methyl carbamate
CID 122516202
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-pyrimidin-5-ylbenzamide
CID 56598085
N-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109311143

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[[6-(2-methyl-4-pyridinyl)quinazolin-2-yl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-[[6-(2-methyl-4-pyridinyl)quinazolin-2-yl]amino]benzamide (CID 71584271) is N-(2-methoxyethyl)-4-[[6-(2-methyl-4-pyridinyl)quinazolin-2-yl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[[6-(2-methyl-4-pyridinyl)quinazolin-2-yl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[[6-(2-methyl-4-pyridinyl)quinazolin-2-yl]amino]benzamide is COCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccnc(C)c4)ccc3n2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[[6-(2-methyl-4-pyridinyl)quinazolin-2-yl]amino]benzamide?
The InChIKey is KFLXEKIKIYSSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-16-13-19(9-10-25-16)18-5-8-22-20(14-18)15-27-24(29-22)28-21-6-3-17(4-7-21)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-(2-methyl-4-pyridinyl)quinazolin-2-yl]amino]benzamide?
N-(2-methoxyethyl)-4-[[6-(2-methyl-4-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-(2-methyl-4-pyridinyl)quinazolin-2-yl]amino]benzamide is sourced from PubChem (CID 71584271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).