3-(2-aminoquinazolin-4-yl)-N-(2,3-dichlorophenyl)-4-methylbenzamide

C22H16Cl2N4O — CID 71268346

IUPAC3-(2-aminoquinazolin-4-yl)-N-(2,3-dichlorophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1-c1nc(N)nc2ccccc12
InChIInChI=1S/C22H16Cl2N4O/c1-12-9-10-13(21(29)26-18-8-4-6-16(23)19(18)24)11-15(12)20-14-5-2-3-7-17(14)27-22(25)28-20/h2-11H,1H3,(H,26,29)(H2,25,27,28)
InChIKeyVNBDQWFIWPQPQW-UHFFFAOYSA-N
MW423.30 g/mol
LogP5.75
Rot. Bonds3

About 3-(2-aminoquinazolin-4-yl)-N-(2,3-dichlorophenyl)-4-methylbenzamide

3-(2-aminoquinazolin-4-yl)-N-(2,3-dichlorophenyl)-4-methylbenzamide (PubChem CID 71268346) has the molecular formula C22H16Cl2N4O and a molecular weight of 423.30 g/mol. Its IUPAC name is 3-(2-aminoquinazolin-4-yl)-N-(2,3-dichlorophenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-(2-aminoquinazolin-4-yl)-N-(2,3-dichlorophenyl)-4-methylbenzamide
PubChem CID71268346
Molecular FormulaC22H16Cl2N4O
Molecular Weight423.30 g/mol
Exact Mass422.07
IUPAC Name3-(2-aminoquinazolin-4-yl)-N-(2,3-dichlorophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1-c1nc(N)nc2ccccc12
InChIInChI=1S/C22H16Cl2N4O/c1-12-9-10-13(21(29)26-18-8-4-6-16(23)19(18)24)11-15(12)20-14-5-2-3-7-17(14)27-22(25)28-20/h2-11H,1H3,(H,26,29)(H2,25,27,28)
InChIKeyVNBDQWFIWPQPQW-UHFFFAOYSA-N
XLogP5.75
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.30
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminoquinazolin-4-yl)-4-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71268372
3-benzamido-N-(2,3-dichlorophenyl)-4-methylbenzamide
CID 17226451
N-[4-chloro-2-methyl-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-4-yl]benzamide
CID 69465506
4-[[4-(2,3-dichlorophenyl)quinazolin-2-yl]amino]-N-[5-[(dimethylamino)methyl]-2-methylphenyl]benzamide
CID 25073323
N-(2,3-dichlorophenyl)-4-methoxy-3-methylbenzamide
CID 18892517
N-(2,3-dichlorophenyl)-4-phenylbenzamide
CID 3094078
2-[(3-amino-4-methylbenzoyl)amino]-6-chlorobenzoic acid
CID 63723613
3-chloro-N-(2-methylquinolin-4-yl)benzamide
CID 4298030
4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine
CID 80755119
N-(2,3-dichlorophenyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 137108208
N-(2,3-dichlorophenyl)-2-quinazolin-4-ylbenzamide
CID 23934303
4-[2-(2-methylanilino)phenyl]quinazolin-2-amine
CID 70396785

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinazolin-4-yl)-N-(2,3-dichlorophenyl)-4-methylbenzamide?
The IUPAC name of 3-(2-aminoquinazolin-4-yl)-N-(2,3-dichlorophenyl)-4-methylbenzamide (CID 71268346) is 3-(2-aminoquinazolin-4-yl)-N-(2,3-dichlorophenyl)-4-methylbenzamide.
What is the SMILES notation for 3-(2-aminoquinazolin-4-yl)-N-(2,3-dichlorophenyl)-4-methylbenzamide?
The canonical SMILES for 3-(2-aminoquinazolin-4-yl)-N-(2,3-dichlorophenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1-c1nc(N)nc2ccccc12.
What is the InChIKey of 3-(2-aminoquinazolin-4-yl)-N-(2,3-dichlorophenyl)-4-methylbenzamide?
The InChIKey is VNBDQWFIWPQPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4O/c1-12-9-10-13(21(29)26-18-8-4-6-16(23)19(18)24)11-15(12)20-14-5-2-3-7-17(14)27-22(25)28-20/h2-11H,1H3,(H,26,29)(H2,25,27,28).
What are the key properties of 3-(2-aminoquinazolin-4-yl)-N-(2,3-dichlorophenyl)-4-methylbenzamide?
3-(2-aminoquinazolin-4-yl)-N-(2,3-dichlorophenyl)-4-methylbenzamide has a molecular weight of 423.30 g/mol, XLogP of 5.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinazolin-4-yl)-N-(2,3-dichlorophenyl)-4-methylbenzamide is sourced from PubChem (CID 71268346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).