N-(2-aminophenyl)-4-[(5-methoxyquinazolin-4-yl)amino]benzamide

C22H19N5O2 — CID 71470828

IUPACN-(2-aminophenyl)-4-[(5-methoxyquinazolin-4-yl)amino]benzamide
SMILESCOc1cccc2ncnc(Nc3ccc(C(=O)Nc4ccccc4N)cc3)c12
InChIInChI=1S/C22H19N5O2/c1-29-19-8-4-7-18-20(19)21(25-13-24-18)26-15-11-9-14(10-12-15)22(28)27-17-6-3-2-5-16(17)23/h2-13H,23H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyGJHWBOLBBQFQJS-UHFFFAOYSA-N
MW385.43 g/mol
LogP4.22
Rot. Bonds5

About N-(2-aminophenyl)-4-[(5-methoxyquinazolin-4-yl)amino]benzamide

N-(2-aminophenyl)-4-[(5-methoxyquinazolin-4-yl)amino]benzamide (PubChem CID 71470828) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(5-methoxyquinazolin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(5-methoxyquinazolin-4-yl)amino]benzamide
PubChem CID71470828
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC NameN-(2-aminophenyl)-4-[(5-methoxyquinazolin-4-yl)amino]benzamide
SMILESCOc1cccc2ncnc(Nc3ccc(C(=O)Nc4ccccc4N)cc3)c12
InChIInChI=1S/C22H19N5O2/c1-29-19-8-4-7-18-20(19)21(25-13-24-18)26-15-11-9-14(10-12-15)22(28)27-17-6-3-2-5-16(17)23/h2-13H,23H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyGJHWBOLBBQFQJS-UHFFFAOYSA-N
XLogP4.22
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzamide
CID 71471023
N-(2-amino-5-fluorophenyl)-4-(quinazolin-4-ylamino)benzamide
CID 71470718
N-(2-aminophenyl)-4-[(6-nitroquinazolin-4-yl)amino]benzamide
CID 71470924
4-N-(2-aminophenyl)-1-N-[4-(3-ethynylanilino)quinazolin-6-yl]benzene-1,4-dicarboxamide
CID 58192003
N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 59295374
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 162673382
N-[(4-anilino-7-methoxyquinazolin-6-yl)carbamoyl]benzamide
CID 141449293
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 50783843
N-(2-aminophenyl)-4-[(1-propylbenzimidazol-2-yl)amino]benzamide
CID 88993158

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(5-methoxyquinazolin-4-yl)amino]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(5-methoxyquinazolin-4-yl)amino]benzamide (CID 71470828) is N-(2-aminophenyl)-4-[(5-methoxyquinazolin-4-yl)amino]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(5-methoxyquinazolin-4-yl)amino]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(5-methoxyquinazolin-4-yl)amino]benzamide is COc1cccc2ncnc(Nc3ccc(C(=O)Nc4ccccc4N)cc3)c12.
What is the InChIKey of N-(2-aminophenyl)-4-[(5-methoxyquinazolin-4-yl)amino]benzamide?
The InChIKey is GJHWBOLBBQFQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-29-19-8-4-7-18-20(19)21(25-13-24-18)26-15-11-9-14(10-12-15)22(28)27-17-6-3-2-5-16(17)23/h2-13H,23H2,1H3,(H,27,28)(H,24,25,26).
What are the key properties of N-(2-aminophenyl)-4-[(5-methoxyquinazolin-4-yl)amino]benzamide?
N-(2-aminophenyl)-4-[(5-methoxyquinazolin-4-yl)amino]benzamide has a molecular weight of 385.43 g/mol, XLogP of 4.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(5-methoxyquinazolin-4-yl)amino]benzamide is sourced from PubChem (CID 71470828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).