2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-methylamino]acetamide

C19H19ClFN5O2 — CID 11682843

IUPAC2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-methylamino]acetamide
SMILESCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)CC(N)=O
InChIInChI=1S/C19H19ClFN5O2/c1-26(9-17(22)27)8-11-6-12-15(7-16(11)28-2)23-10-24-19(12)25-14-5-3-4-13(20)18(14)21/h3-7,10H,8-9H2,1-2H3,(H2,22,27)(H,23,24,25)
InChIKeyZKIVCEBHTQSSGM-UHFFFAOYSA-N
MW403.85 g/mol
LogP3.09
Rot. Bonds7

About 2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-methylamino]acetamide

2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-methylamino]acetamide (PubChem CID 11682843) has the molecular formula C19H19ClFN5O2 and a molecular weight of 403.85 g/mol. Its IUPAC name is 2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-methylamino]acetamide
PubChem CID11682843
Molecular FormulaC19H19ClFN5O2
Molecular Weight403.85 g/mol
Exact Mass403.12
IUPAC Name2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-methylamino]acetamide
SMILESCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)CC(N)=O
InChIInChI=1S/C19H19ClFN5O2/c1-26(9-17(22)27)8-11-6-12-15(7-16(11)28-2)23-10-24-19(12)25-14-5-3-4-13(20)18(14)21/h3-7,10H,8-9H2,1-2H3,(H2,22,27)(H,23,24,25)
InChIKeyZKIVCEBHTQSSGM-UHFFFAOYSA-N
XLogP3.09
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.85
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-methylamino]acetamide?
The IUPAC name of 2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-methylamino]acetamide (CID 11682843) is 2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-methylamino]acetamide.
What is the SMILES notation for 2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-methylamino]acetamide?
The canonical SMILES for 2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-methylamino]acetamide is COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)CC(N)=O.
What is the InChIKey of 2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-methylamino]acetamide?
The InChIKey is ZKIVCEBHTQSSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5O2/c1-26(9-17(22)27)8-11-6-12-15(7-16(11)28-2)23-10-24-19(12)25-14-5-3-4-13(20)18(14)21/h3-7,10H,8-9H2,1-2H3,(H2,22,27)(H,23,24,25).
What are the key properties of 2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-methylamino]acetamide?
2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-methylamino]acetamide has a molecular weight of 403.85 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 11682843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).