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

C24H23N5O2 — CID 71584542

IUPACN-(2-methoxyethyl)-2-methyl-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
SMILESCOCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1C
InChIInChI=1S/C24H23N5O2/c1-16-13-20(4-5-21(16)23(30)26-11-12-31-2)28-24-27-15-19-14-18(3-6-22(19)29-24)17-7-9-25-10-8-17/h3-10,13-15H,11-12H2,1-2H3,(H,26,30)(H,27,28,29)
InChIKeyXFIMTFTVMLQKMX-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.12
Rot. Bonds7

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

N-(2-methoxyethyl)-2-methyl-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide (PubChem CID 71584542) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
PubChem CID71584542
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-(2-methoxyethyl)-2-methyl-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
SMILESCOCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1C
InChIInChI=1S/C24H23N5O2/c1-16-13-20(4-5-21(16)23(30)26-11-12-31-2)28-24-27-15-19-14-18(3-6-22(19)29-24)17-7-9-25-10-8-17/h3-10,13-15H,11-12H2,1-2H3,(H,26,30)(H,27,28,29)
InChIKeyXFIMTFTVMLQKMX-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'}

Analyze N-(2-methoxyethyl)-2-methyl-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide with MolForge

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Related Compounds

Bms-833923
CID 57662985
Senexin B
CID 71661259
Jnk-IN-8
CID 57340686
6-((Z)-Amino(Imino)Methyl)-N-(4-(Aminomethyl)Phenyl)-4-(Pyrimidin-2-Ylamino)-2-Naphthamide
CID 448605
3-(2-aminoquinazolin-6-yl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 15991573
N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
CID 24963046
Sgi-1027
CID 24858111
N-{2-[(N,N-Diethylglycyl)amino]-5-(trifluoromethyl)phenyl}-4-methyl-3-[2-(methylamino)quinazolin-6-YL]benzamide
CID 15991575
4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16086088
Aminoquinazoline amide, 35
CID 25138148
3-(2-aminoquinazolin-6-yl)-4-methyl-1-(3-(trifluoromethyl)phenyl)pyridin-2(1H)-one
CID 24812719
VX-984
CID 72188357

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide (CID 71584542) is N-(2-methoxyethyl)-2-methyl-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide is COCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1C.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide?
The InChIKey is XFIMTFTVMLQKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-16-13-20(4-5-21(16)23(30)26-11-12-31-2)28-24-27-15-19-14-18(3-6-22(19)29-24)17-7-9-25-10-8-17/h3-10,13-15H,11-12H2,1-2H3,(H,26,30)(H,27,28,29).
What are the key properties of N-(2-methoxyethyl)-2-methyl-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide?
N-(2-methoxyethyl)-2-methyl-4-[(6-pyridin-4-ylquinazolin-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)-2-methyl-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide is sourced from PubChem (CID 71584542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).