4-[[2-(4-bromo-N-methylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide

C22H18BrN5O2 — CID 90947284

IUPAC4-[[2-(4-bromo-N-methylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide
SMILESCN(c1ccc(Br)cc1)c1ncc2cc(OCc3ccnc(C(N)=O)c3)ccc2n1
InChIInChI=1S/C22H18BrN5O2/c1-28(17-4-2-16(23)3-5-17)22-26-12-15-11-18(6-7-19(15)27-22)30-13-14-8-9-25-20(10-14)21(24)29/h2-12H,13H2,1H3,(H2,24,29)
InChIKeyPPJGNXYPYRLFHG-UHFFFAOYSA-N
MW464.32 g/mol
LogP4.23
Rot. Bonds6

About 4-[[2-(4-bromo-N-methylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide

4-[[2-(4-bromo-N-methylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide (PubChem CID 90947284) has the molecular formula C22H18BrN5O2 and a molecular weight of 464.32 g/mol. Its IUPAC name is 4-[[2-(4-bromo-N-methylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(4-bromo-N-methylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide
PubChem CID90947284
Molecular FormulaC22H18BrN5O2
Molecular Weight464.32 g/mol
Exact Mass463.06
IUPAC Name4-[[2-(4-bromo-N-methylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide
SMILESCN(c1ccc(Br)cc1)c1ncc2cc(OCc3ccnc(C(N)=O)c3)ccc2n1
InChIInChI=1S/C22H18BrN5O2/c1-28(17-4-2-16(23)3-5-17)22-26-12-15-11-18(6-7-19(15)27-22)30-13-14-8-9-25-20(10-14)21(24)29/h2-12H,13H2,1H3,(H2,24,29)
InChIKeyPPJGNXYPYRLFHG-UHFFFAOYSA-N
XLogP4.23
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-bromo-N-methylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide?
The IUPAC name of 4-[[2-(4-bromo-N-methylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide (CID 90947284) is 4-[[2-(4-bromo-N-methylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(4-bromo-N-methylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(4-bromo-N-methylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide is CN(c1ccc(Br)cc1)c1ncc2cc(OCc3ccnc(C(N)=O)c3)ccc2n1.
What is the InChIKey of 4-[[2-(4-bromo-N-methylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide?
The InChIKey is PPJGNXYPYRLFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN5O2/c1-28(17-4-2-16(23)3-5-17)22-26-12-15-11-18(6-7-19(15)27-22)30-13-14-8-9-25-20(10-14)21(24)29/h2-12H,13H2,1H3,(H2,24,29).
What are the key properties of 4-[[2-(4-bromo-N-methylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide?
4-[[2-(4-bromo-N-methylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide has a molecular weight of 464.32 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-bromo-N-methylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide is sourced from PubChem (CID 90947284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).